2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C95H107N19O8 — CID 157172165

About 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157172165) has the molecular formula C95H107N19O8 and a molecular weight of 1643.03 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157172165
• Molecular Formula: C95H107N19O8
• Molecular Weight: 1643.03 g/mol
• Exact Mass: 1641.86
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: C=C(/C=C\c1ncc(C)[nH]1)c1cc(=O)n2cc(C3=CCN(CCO)CC3)ccc2n1.CN1CCC(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCCC5)CC4)ccc3n2)cc1OC.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ccc4n3)ccc2n1
• InChI: InChI=1S/C27H34N4O3.2C23H25N5O2.C22H23N5O/c1-33-24-8-6-21(16-25(24)34-2)23-17-27(32)31-19-22(7-9-26(31)28-23)30-14-10-20(11-15-30)18-29-12-4-3-5-13-29;1-16-13-27-14-19(3-4-21(27)24-16)20-12-23(30)28-15-18(2-5-22(28)25-20)17-6-8-26(9-7-17)10-11-29;1-16(3-5-21-24-14-17(2)25-21)20-13-23(30)28-15-19(4-6-22(28)26-20)18-7-9-27(10-8-18)11-12-29;1-25-9-7-15(8-10-25)17-4-6-21-23-20(12-22(28)27(21)14-17)16-3-5-19-18(11-16)13-26(2)24-19/h6-9,16-17,19-20H,3-5,10-15,18H2,1-2H3;2-5,12-15,17,29H,6-11H2,1H3;3-7,13-15,29H,1,8-12H2,2H3,(H,24,25);3-6,11-15H,7-10H2,1-2H3/b;;5-3-
• InChIKey: ANPDHOPEZDWMPH-QNARNCLTSA-N
• XLogP: 12.16
• TPSA: 276.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1643.03
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157172165) is 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is C=C(/C=C\c1ncc(C)[nH]1)c1cc(=O)n2cc(C3=CCN(CCO)CC3)ccc2n1.CN1CCC(c2ccc3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(CN5CCCCC5)CC4)ccc3n2)cc1OC.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(CCO)CC5)ccc4n3)ccc2n1.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is ANPDHOPEZDWMPH-QNARNCLTSA-N. The full InChI is InChI=1S/C27H34N4O3.2C23H25N5O2.C22H23N5O/c1-33-24-8-6-21(16-25(24)34-2)23-17-27(32)31-19-22(7-9-26(31)28-23)30-14-10-20(11-15-30)18-29-12-4-3-5-13-29;1-16-13-27-14-19(3-4-21(27)24-16)20-12-23(30)28-15-18(2-5-22(28)25-20)17-6-8-26(9-7-17)10-11-29;1-16(3-5-21-24-14-17(2)25-21)20-13-23(30)28-15-19(4-6-22(28)26-20)18-7-9-27(10-8-18)11-12-29;1-25-9-7-15(8-10-25)17-4-6-21-23-20(12-22(28)27(21)14-17)16-3-5-19-18(11-16)13-26(2)24-19/h6-9,16-17,19-20H,3-5,10-15,18H2,1-2H3;2-5,12-15,17,29H,6-11H2,1H3;3-7,13-15,29H,1,8-12H2,2H3,(H,24,25);3-6,11-15H,7-10H2,1-2H3/b;;5-3-;.

What are the key properties of 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1643.03 g/mol, XLogP of 12.16, 18 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-7-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[(3Z)-4-(5-methyl-1H-imidazol-2-yl)buta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylindazol-5-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157172165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).