2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)

C73H58ClN15O6 — CID 158037368

About 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)

2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one) (PubChem CID 158037368) has the molecular formula C73H58ClN15O6 and a molecular weight of 1276.82 g/mol. Its IUPAC name is 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one).

Molecular Properties

• Compound Name: 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)
• PubChem CID: 158037368
• Molecular Formula: C73H58ClN15O6
• Molecular Weight: 1276.82 g/mol
• Exact Mass: 1275.44
• IUPAC Name: 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)
• SMILES: C1=Cc2cnccc2C1.COc1ccc(CN2Cc3nc(-n4ccc5cnccc54)ccc3C2=O)cc1.COc1ccc(CN2Cc3nc(Cl)ccc3C2=O)cc1.O=C1NCc2nc(-n3ccc4cnccc43)ccc21.O=C1NCc2nc(-n3ccc4cnccc43)ccc21
• InChI: InChI=1S/C22H18N4O2.C15H13ClN2O2.2C14H10N4O.C8H7N/c1-28-17-4-2-15(3-5-17)13-25-14-19-18(22(25)27)6-7-21(24-19)26-11-9-16-12-23-10-8-20(16)26;1-20-11-4-2-10(3-5-11)8-18-9-13-12(15(18)19)6-7-14(16)17-13;2*19-14-10-1-2-13(17-11(10)8-16-14)18-6-4-9-7-15-5-3-12(9)18;1-2-7-4-5-9-6-8(7)3-1/h2-12H,13-14H2,1H3;2-7H,8-9H2,1H3;2*1-7H,8H2,(H,16,19);1,3-6H,2H2
• InChIKey: FHXOQLLEJIRLHG-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 235.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.82
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)?

The IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one) (CID 158037368) is 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one).

What is the SMILES notation for 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)?

The canonical SMILES for 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one) is C1=Cc2cnccc2C1.COc1ccc(CN2Cc3nc(-n4ccc5cnccc54)ccc3C2=O)cc1.COc1ccc(CN2Cc3nc(Cl)ccc3C2=O)cc1.O=C1NCc2nc(-n3ccc4cnccc43)ccc21.O=C1NCc2nc(-n3ccc4cnccc43)ccc21.

What is the InChIKey of 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)?

The InChIKey is FHXOQLLEJIRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2.C15H13ClN2O2.2C14H10N4O.C8H7N/c1-28-17-4-2-15(3-5-17)13-25-14-19-18(22(25)27)6-7-21(24-19)26-11-9-16-12-23-10-8-20(16)26;1-20-11-4-2-10(3-5-11)8-18-9-13-12(15(18)19)6-7-14(16)17-13;2*19-14-10-1-2-13(17-11(10)8-16-14)18-6-4-9-7-15-5-3-12(9)18;1-2-7-4-5-9-6-8(7)3-1/h2-12H,13-14H2,1H3;2-7H,8-9H2,1H3;2*1-7H,8H2,(H,16,19);1,3-6H,2H2.

What are the key properties of 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one)?

2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one) has a molecular weight of 1276.82 g/mol, XLogP of 11.46, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5H-cyclopenta[c]pyridine;6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-pyrrolo[3,2-c]pyridin-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one) is sourced from PubChem (CID 158037368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).