N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide

C34H25F2N5O4S — CID 59362429

About N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide

N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362429) has the molecular formula C34H25F2N5O4S and a molecular weight of 637.67 g/mol. Its IUPAC name is N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 59362429
• Molecular Formula: C34H25F2N5O4S
• Molecular Weight: 637.67 g/mol
• Exact Mass: 637.16
• IUPAC Name: N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide
• SMILES: O=C(NCc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)ccn1)c1cccn(C2(c3ccc(F)c(F)c3)CC2)c1=O
• InChI: InChI=1S/C34H25F2N5O4S/c35-29-11-10-23(19-30(29)36)34(13-14-34)40-17-5-9-27(33(40)43)32(42)39-20-24-18-22(12-16-37-24)28-21-41(31-26(28)8-4-15-38-31)46(44,45)25-6-2-1-3-7-25/h1-12,15-19,21H,13-14,20H2,(H,39,42)
• InChIKey: FERDBRSKDWYISS-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 115.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.67
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide (CID 59362429) is N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide is O=C(NCc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)ccn1)c1cccn(C2(c3ccc(F)c(F)c3)CC2)c1=O.

What is the InChIKey of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide?

The InChIKey is FERDBRSKDWYISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N5O4S/c35-29-11-10-23(19-30(29)36)34(13-14-34)40-17-5-9-27(33(40)43)32(42)39-20-24-18-22(12-16-37-24)28-21-41(31-26(28)8-4-15-38-31)46(44,45)25-6-2-1-3-7-25/h1-12,15-19,21H,13-14,20H2,(H,39,42).

What are the key properties of N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide?

N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide has a molecular weight of 637.67 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-1-[1-(3,4-difluorophenyl)cyclopropyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).