2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C92H102N22O4 — CID 157087443

IUPAC2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4cc(C)c5nn(C)cc5c4)cc(=O)n3c2)CC1.Cc1cc(-c2cc(=O)n3cc(C4CCN(C)CC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCN(C)[C@@H](C)C4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H27N5O.C23H26N6O.C23H25N5O.C22H24N6O/c1-4-28-9-7-17(8-10-28)18-5-6-22-25-21(13-23(30)29(22)15-18)19-11-16(2)24-20(12-19)14-27(3)26-24;1-15-9-17(10-18-13-27(4)25-23(15)18)20-11-22(30)29-14-19(5-6-21(29)24-20)28-8-7-26(3)16(2)12-28;1-15-10-18(11-19-13-27(3)25-23(15)19)20-12-22(29)28-14-17(4-5-21(28)24-20)16-6-8-26(2)9-7-16;1-14-8-16(9-17-12-26(3)25-22(14)17)19-10-21(29)28-13-18(4-5-20(28)24-19)27-7-6-23-15(2)11-27/h5-6,11-15,17H,4,7-10H2,1-3H3;5-6,9-11,13-14,16H,7-8,12H2,1-4H3;4-5,10-14,16H,6-9H2,1-3H3;4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3/t;16-;;15-/m.0.0/s1
InChIKeyAEGIUUIRMWYGKH-ONTULKLCSA-N
MW1579.98 g/mol
LogP12.17
Rot. Bonds9

About 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157087443) has the molecular formula C92H102N22O4 and a molecular weight of 1579.98 g/mol. Its IUPAC name is 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID157087443
Molecular FormulaC92H102N22O4
Molecular Weight1579.98 g/mol
Exact Mass1578.85
IUPAC Name2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4cc(C)c5nn(C)cc5c4)cc(=O)n3c2)CC1.Cc1cc(-c2cc(=O)n3cc(C4CCN(C)CC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCN(C)[C@@H](C)C4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H27N5O.C23H26N6O.C23H25N5O.C22H24N6O/c1-4-28-9-7-17(8-10-28)18-5-6-22-25-21(13-23(30)29(22)15-18)19-11-16(2)24-20(12-19)14-27(3)26-24;1-15-9-17(10-18-13-27(4)25-23(15)18)20-11-22(30)29-14-19(5-6-21(29)24-20)28-8-7-26(3)16(2)12-28;1-15-10-18(11-19-13-27(3)25-23(15)19)20-12-22(29)28-14-17(4-5-21(28)24-20)16-6-8-26(2)9-7-16;1-14-8-16(9-17-12-26(3)25-22(14)17)19-10-21(29)28-13-18(4-5-20(28)24-19)27-7-6-23-15(2)11-27/h5-6,11-15,17H,4,7-10H2,1-3H3;5-6,9-11,13-14,16H,7-8,12H2,1-4H3;4-5,10-14,16H,6-9H2,1-3H3;4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3/t;16-;;15-/m.0.0/s1
InChIKeyAEGIUUIRMWYGKH-ONTULKLCSA-N
XLogP12.17
TPSA236.99 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001579.98
LogP ≤ 512.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one
CID 160883861
9-methyl-2-(2-methylindazol-5-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89739761
2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89739807
2-(2,7-dimethylindazol-5-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740704
2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740795
9-methyl-2-(2-methylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740991
2-(2,7-Dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741002
2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741298
9-Methyl-2-(2-methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123261077
2-(2-Methylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123501250
2-(2,7-Dimethylindazol-5-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123954470
2-(2,7-Dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 134543459

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157087443) is 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CCC(c2ccc3nc(-c4cc(C)c5nn(C)cc5c4)cc(=O)n3c2)CC1.Cc1cc(-c2cc(=O)n3cc(C4CCN(C)CC4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCN(C)[C@@H](C)C4)ccc3n2)cc2cn(C)nc12.Cc1cc(-c2cc(=O)n3cc(N4CCN[C@@H](C)C4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AEGIUUIRMWYGKH-ONTULKLCSA-N. The full InChI is InChI=1S/C24H27N5O.C23H26N6O.C23H25N5O.C22H24N6O/c1-4-28-9-7-17(8-10-28)18-5-6-22-25-21(13-23(30)29(22)15-18)19-11-16(2)24-20(12-19)14-27(3)26-24;1-15-9-17(10-18-13-27(4)25-23(15)18)20-11-22(30)29-14-19(5-6-21(29)24-20)28-8-7-26(3)16(2)12-28;1-15-10-18(11-19-13-27(3)25-23(15)19)20-12-22(29)28-14-17(4-5-21(28)24-20)16-6-8-26(2)9-7-16;1-14-8-16(9-17-12-26(3)25-22(14)17)19-10-21(29)28-13-18(4-5-20(28)24-19)27-7-6-23-15(2)11-27/h5-6,11-15,17H,4,7-10H2,1-3H3;5-6,9-11,13-14,16H,7-8,12H2,1-4H3;4-5,10-14,16H,6-9H2,1-3H3;4-5,8-10,12-13,15,23H,6-7,11H2,1-3H3/t;16-;;15-/m.0.0/s1.
What are the key properties of 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1579.98 g/mol, XLogP of 12.17, 9 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157087443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).