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

C180H133N29O9 — CID 157319576

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

3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 157319576) has the molecular formula C180H133N29O9 and a molecular weight of 2846.24 g/mol. Its IUPAC name is 3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 157319576
• Molecular Formula: C180H133N29O9
• Molecular Weight: 2846.24 g/mol
• Exact Mass: 2844.08
• IUPAC Name: 3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
• SMILES: Cn1cc2c(-c3cccc(Cn4cnc5ncccc5c4=O)c3)cccc2n1.Cn1cc2ccc(-c3cccc(Cn4cnc5ncccc5c4=O)c3)cc2c1.O=c1c2ccccc2ncn1Cc1cccc(-c2ccc3ccccn23)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2ccc3cccn3c2)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2ccc3cncn3c2)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2cnc3c(c2)C=CC3)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2cnc3occc3c2)c1.O=c1c2cccnc2ncn1Cc1cccc(-c2ccc3c(c2)C=NC3)c1
• InChI: InChI=1S/C23H18N4O.3C23H17N3O.C22H17N5O.2C22H16N4O.C22H15N3O2/c1-26-13-19-8-7-18(11-20(19)14-26)17-5-2-4-16(10-17)12-27-15-25-22-21(23(27)28)6-3-9-24-22;27-23-21-8-1-2-9-22(21)24-16-26(23)14-17-5-3-6-18(13-17)19-10-11-20-7-4-12-25(20)15-19;27-23-20-8-1-2-9-22(20)25-15-26(23)14-16-5-3-6-17(11-16)19-12-18-7-4-10-21(18)24-13-19;27-23-20-9-1-2-10-21(20)24-16-25(23)15-17-6-5-7-18(14-17)22-12-11-19-8-3-4-13-26(19)22;1-26-13-19-17(7-3-9-20(19)25-26)16-6-2-5-15(11-16)12-27-14-24-21-18(22(27)28)8-4-10-23-21;27-22-20-5-2-8-24-21(20)25-14-26(22)13-15-3-1-4-16(9-15)17-6-7-18-11-23-12-19(18)10-17;27-22-20-6-1-2-7-21(20)24-15-26(22)12-16-4-3-5-17(10-16)18-8-9-19-11-23-14-25(19)13-18;26-22-19-6-1-2-7-20(19)24-14-25(22)13-15-4-3-5-16(10-15)18-11-17-8-9-27-21(17)23-12-18/h2-11,13-15H,12H2,1H3;1-13,15-16H,14H2;1-9,11-13,15H,10,14H2;1-14,16H,15H2;2-11,13-14H,12H2,1H3;1-10,12,14H,11,13H2;1-11,13-15H,12H2;1-12,14H,13H2
• InChIKey: BDZRTNSXSUXZSK-UHFFFAOYSA-N
• XLogP: 31.65
• TPSA: 417.94 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2846.24
LogP ≤ 5	31.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

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

The IUPAC name of 3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 157319576) is 3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one.

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

The canonical SMILES for 3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cn1cc2c(-c3cccc(Cn4cnc5ncccc5c4=O)c3)cccc2n1.Cn1cc2ccc(-c3cccc(Cn4cnc5ncccc5c4=O)c3)cc2c1.O=c1c2ccccc2ncn1Cc1cccc(-c2ccc3ccccn23)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2ccc3cccn3c2)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2ccc3cncn3c2)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2cnc3c(c2)C=CC3)c1.O=c1c2ccccc2ncn1Cc1cccc(-c2cnc3occc3c2)c1.O=c1c2cccnc2ncn1Cc1cccc(-c2ccc3c(c2)C=NC3)c1.

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

The InChIKey is BDZRTNSXSUXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O.3C23H17N3O.C22H17N5O.2C22H16N4O.C22H15N3O2/c1-26-13-19-8-7-18(11-20(19)14-26)17-5-2-4-16(10-17)12-27-15-25-22-21(23(27)28)6-3-9-24-22;27-23-21-8-1-2-9-22(21)24-16-26(23)14-17-5-3-6-18(13-17)19-10-11-20-7-4-12-25(20)15-19;27-23-20-8-1-2-9-22(20)25-15-26(23)14-16-5-3-6-17(11-16)19-12-18-7-4-10-21(18)24-13-19;27-23-20-9-1-2-10-21(20)24-16-25(23)15-17-6-5-7-18(14-17)22-12-11-19-8-3-4-13-26(19)22;1-26-13-19-17(7-3-9-20(19)25-26)16-6-2-5-15(11-16)12-27-14-24-21-18(22(27)28)8-4-10-23-21;27-22-20-5-2-8-24-21(20)25-14-26(22)13-15-3-1-4-16(9-15)17-6-7-18-11-23-12-19(18)10-17;27-22-20-6-1-2-7-21(20)24-15-26(22)12-16-4-3-5-17(10-16)18-8-9-19-11-23-14-25(19)13-18;26-22-19-6-1-2-7-20(19)24-14-25(22)13-15-4-3-5-16(10-15)18-11-17-8-9-27-21(17)23-12-18/h2-11,13-15H,12H2,1H3;1-13,15-16H,14H2;1-9,11-13,15H,10,14H2;1-14,16H,15H2;2-11,13-14H,12H2,1H3;1-10,12,14H,11,13H2;1-11,13-15H,12H2;1-12,14H,13H2.

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

3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 2846.24 g/mol, XLogP of 31.65, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]quinazolin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]quinazolin-4-one;3-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 157319576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).