10660994
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
8
7
7
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
2
3
3
4
4
5
5
5
6
6
7
7
8
8
10
10
11
11
12
14
14
15
16
16
17
18
18
19
19
20
20
21
21
22
12
6
7
10
9
17
13
17
13
30
31
8
11
9
12
9
13
14
23
15
24
16
15
25
26
18
19
27
20
28
21
29
22
32
22
33
34
2
1
1
1
1
2
2
1
1
1
1
2
1
2
1
1
1
2
1
2
1
1
1
1
1
2
1
1
1
1
2
1
2
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
5.4641
3.7891
6.4225
6.8036
5.463
4.0981
4.5981
5.0981
5.4071
2.7736
3.4131
4.5981
5.783
2.0707
2.3926
3.732
7.1254
3.732
2.866
2.866
2
2
2.5889
3.6115
1.4648
1.9795
7.7314
4.269
2.866
5.8726
4.8552
2.866
1.4631
1.4631
1.8683
-0.2195
0.0127
-1.7466
-2.9027
-1.1706
0.3683
-1.1706
-0.2195
0.0127
-1.9553
1.3683
-1.9553
-0.756
-1.7466
1.8683
-0.756
2.8683
1.3683
3.3683
1.8683
2.8683
0.6046
-2.5427
-0.6247
-2.209
-0.6247
3.1783
0.7483
-3.3683
-3.0246
3.9883
1.5583
3.1783
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
2
2
3
3
4
4
6
6
7
8
8
10
11
14
16
16
18
19
20
21
6
7
10
9
17
13
17
8
11
9
9
13
14
15
15
18
19
20
21
22
22
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
423
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C07BA0000000000000000000000000000001600000003C588000000000005801FE00001E00100000000C0CC19E043DF0F74C1800A803B677640082802D3712A009D821B874D88868FAC0DDF1942588688002C8C9E71889C09E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-aminopyrimido[5,4-a]indolizin-10-yl)-phenyl-methanone
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-amino-10-pyrimido[5,4-a]indolizinyl)-phenylmethanone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-aminopyrimido[5,4-a]indolizin-10-yl)-phenylmethanone
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-azanylpyrimido[5,4-a]indolizin-10-yl)-phenyl-methanone
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(4-aminopyrimid[5,4-a]indolizin-10-yl)-phenyl-methanone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C17H12N4O/c18-17-13-12-8-4-5-9-21(12)15(14(13)19-10-20-17)16(22)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
JVDMGYJOJAHWDN-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
288.101111
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C17H12N4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
288.30338
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)C(=O)C2=C3C(=C4N2C=CC=C4)C(=NC=N3)N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)C(=O)C2=C3C(=C4N2C=CC=C4)C(=NC=N3)N
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
73.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
288.101111
22
0
0
0
0
0
0
0
1
5