1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)

C178H127N31O9 — CID 157335227

About 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)

1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one) (PubChem CID 157335227) has the molecular formula C178H127N31O9 and a molecular weight of 2844.18 g/mol. Its IUPAC name is 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one).

Molecular Properties

• Compound Name: 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)
• PubChem CID: 157335227
• Molecular Formula: C178H127N31O9
• Molecular Weight: 2844.18 g/mol
• Exact Mass: 2842.04
• IUPAC Name: 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)
• SMILES: O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3ccccc3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3ccccc3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3ccccn23)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3cccn3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3cncn3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3occc3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2cccc3[nH]ncc23)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2cnc3c(c2)C=CC3)c1
• InChI: InChI=1S/2C24H17N3O.3C22H16N4O.C22H15N3O2.2C21H15N5O/c2*28-24-15-26-22-14-25-11-10-23(22)27(24)16-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21;27-22-13-24-20-12-23-9-8-21(20)26(22)14-16-3-1-4-17(11-16)18-6-7-19-5-2-10-25(19)15-18;27-22-13-25-20-12-23-8-7-21(20)26(22)14-15-3-1-4-16(9-15)18-10-17-5-2-6-19(17)24-11-18;27-22-14-24-19-13-23-10-9-21(19)26(22)15-16-4-3-5-17(12-16)20-8-7-18-6-1-2-11-25(18)20;26-22-13-24-19-12-23-8-6-20(19)25(22)14-15-2-1-3-16(10-15)17-4-5-21-18(11-17)7-9-27-21;27-21-12-23-19-11-22-8-7-20(19)26(21)13-14-3-1-4-15(9-14)16-5-2-6-18-17(16)10-24-25-18;27-21-11-24-19-10-22-7-6-20(19)26(21)12-15-2-1-3-16(8-15)17-4-5-18-9-23-14-25(18)13-17/h2*1-15H,16H2;1-13,15H,14H2;1-5,7-13H,6,14H2;1-14H,15H2;1-13H,14H2;1-12H,13H2,(H,24,25);1-11,13-14H,12H2
• InChIKey: BFTJXTQAWLZFGZ-UHFFFAOYSA-N
• XLogP: 31.10
• TPSA: 463.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2844.18
LogP ≤ 5	31.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)?

The IUPAC name of 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one) (CID 157335227) is 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one).

What is the SMILES notation for 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)?

The canonical SMILES for 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one) is O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3ccccc3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3ccccc3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3ccccn23)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3cccn3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3cncn3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2ccc3occc3c2)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2cccc3[nH]ncc23)c1.O=c1cnc2cnccc2n1Cc1cccc(-c2cnc3c(c2)C=CC3)c1.

What is the InChIKey of 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)?

The InChIKey is BFTJXTQAWLZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H17N3O.3C22H16N4O.C22H15N3O2.2C21H15N5O/c2*28-24-15-26-22-14-25-11-10-23(22)27(24)16-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21;27-22-13-24-20-12-23-9-8-21(20)26(22)14-16-3-1-4-17(11-16)18-6-7-19-5-2-10-25(19)15-18;27-22-13-25-20-12-23-8-7-21(20)26(22)14-15-3-1-4-16(9-15)18-10-17-5-2-6-19(17)24-11-18;27-22-14-24-19-13-23-10-9-21(19)26(22)15-16-4-3-5-17(12-16)20-8-7-18-6-1-2-11-25(18)20;26-22-13-24-19-12-23-8-6-20(19)25(22)14-15-2-1-3-16(10-15)17-4-5-21-18(11-17)7-9-27-21;27-21-12-23-19-11-22-8-7-20(19)26(21)13-14-3-1-4-15(9-14)16-5-2-6-18-17(16)10-24-25-18;27-21-11-24-19-10-22-7-6-20(19)26(21)12-15-2-1-3-16(8-15)17-4-5-18-9-23-14-25(18)13-17/h2*1-15H,16H2;1-13,15H,14H2;1-5,7-13H,6,14H2;1-14H,15H2;1-13H,14H2;1-12H,13H2,(H,24,25);1-11,13-14H,12H2.

What are the key properties of 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one)?

1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one) has a molecular weight of 2844.18 g/mol, XLogP of 31.10, 24 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(1-benzofuran-5-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;1-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one;bis(1-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-2-one) is sourced from PubChem (CID 157335227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).