bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

C176H130N34O8 — CID 157137522

About bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 157137522) has the molecular formula C176H130N34O8 and a molecular weight of 2849.21 g/mol. Its IUPAC name is bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
• PubChem CID: 157137522
• Molecular Formula: C176H130N34O8
• Molecular Weight: 2849.21 g/mol
• Exact Mass: 2847.08
• IUPAC Name: bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
• SMILES: C=C1Cc2cc(-c3ccc(Cn4cnc5cnccc5c4=O)cc3)ccc2N1.Cn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)cc3)c2c1.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3cccn3c2)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3nccn3c2)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cccc3c2C=NC3)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3ccccn23)cc1
• InChI: InChI=1S/2C23H18N4O.4C22H16N4O.2C21H15N5O/c1-15-10-19-11-18(6-7-21(19)26-15)17-4-2-16(3-5-17)13-27-14-25-22-12-24-9-8-20(22)23(27)28;1-26-13-18-4-2-5-19(20(18)14-26)17-9-7-16(8-10-17)12-27-15-25-21-6-3-11-24-22(21)23(27)28;27-22-20-9-10-23-12-21(20)24-15-26(22)13-16-3-5-17(6-4-16)18-7-8-19-2-1-11-25(19)14-18;2*27-22-19-8-9-23-12-21(19)25-14-26(22)13-15-4-6-16(7-5-15)18-10-17-2-1-3-20(17)24-11-18;27-22-19-8-9-23-12-21(19)25-14-26(22)13-15-4-6-16(7-5-15)18-3-1-2-17-10-24-11-20(17)18;27-21-18-7-8-22-11-19(18)24-14-26(21)12-15-1-3-16(4-2-15)17-5-6-20-23-9-10-25(20)13-17;27-21-17-8-9-22-11-18(17)24-14-25(21)13-15-4-6-16(7-5-15)19-12-23-20-3-1-2-10-26(19)20/h2-9,11-12,14,26H,1,10,13H2;2-11,13-15H,12H2,1H3;1-12,14-15H,13H2;2*1-2,4-12,14H,3,13H2;1-9,11-12,14H,10,13H2;1-11,13-14H,12H2;1-12,14H,13H2
• InChIKey: AJUIOZSWGRCIPR-UHFFFAOYSA-N
• XLogP: 28.44
• TPSA: 476.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2849.21
LogP ≤ 5	28.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?

The IUPAC name of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 157137522) is bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.

What is the SMILES notation for bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?

The canonical SMILES for bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is C=C1Cc2cc(-c3ccc(Cn4cnc5cnccc5c4=O)cc3)ccc2N1.Cn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)cc3)c2c1.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3cccn3c2)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3nccn3c2)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cccc3c2C=NC3)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3ccccn23)cc1.

What is the InChIKey of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?

The InChIKey is AJUIOZSWGRCIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18N4O.4C22H16N4O.2C21H15N5O/c1-15-10-19-11-18(6-7-21(19)26-15)17-4-2-16(3-5-17)13-27-14-25-22-12-24-9-8-20(22)23(27)28;1-26-13-18-4-2-5-19(20(18)14-26)17-9-7-16(8-10-17)12-27-15-25-21-6-3-11-24-22(21)23(27)28;27-22-20-9-10-23-12-21(20)24-15-26(22)13-16-3-5-17(6-4-16)18-7-8-19-2-1-11-25(19)14-18;2*27-22-19-8-9-23-12-21(19)25-14-26(22)13-15-4-6-16(7-5-15)18-10-17-2-1-3-20(17)24-11-18;27-22-19-8-9-23-12-21(19)25-14-26(22)13-15-4-6-16(7-5-15)18-3-1-2-17-10-24-11-20(17)18;27-21-18-7-8-22-11-19(18)24-14-26(21)12-15-1-3-16(4-2-15)17-5-6-20-23-9-10-25(20)13-17;27-21-17-8-9-22-11-18(17)24-14-25(21)13-15-4-6-16(7-5-15)19-12-23-20-3-1-2-10-26(19)20/h2-9,11-12,14,26H,1,10,13H2;2-11,13-15H,12H2,1H3;1-12,14-15H,13H2;2*1-2,4-12,14H,3,13H2;1-9,11-12,14H,10,13H2;1-11,13-14H,12H2;1-12,14H,13H2.

What are the key properties of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?

bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 2849.21 g/mol, XLogP of 28.44, 24 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 157137522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).