6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide

C33H31FN6O4S — CID 46185193

About 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide

6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 46185193) has the molecular formula C33H31FN6O4S and a molecular weight of 626.71 g/mol. Its IUPAC name is 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 46185193
• Molecular Formula: C33H31FN6O4S
• Molecular Weight: 626.71 g/mol
• Exact Mass: 626.21
• IUPAC Name: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide
• SMILES: CCN(n1cc2nc(-c3ccc(F)cc3)c(C(=O)NC)c-2cc1-c1cccc(C(=O)NC2(c3ccccn3)CC2)c1)S(C)(=O)=O
• InChI: InChI=1S/C33H31FN6O4S/c1-4-40(45(3,43)44)39-20-26-25(29(32(42)35-2)30(37-26)21-11-13-24(34)14-12-21)19-27(39)22-8-7-9-23(18-22)31(41)38-33(15-16-33)28-10-5-6-17-36-28/h5-14,17-20H,4,15-16H2,1-3H3,(H,35,42)(H,38,41)
• InChIKey: WBIRNRFJRFGBPR-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 126.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.71
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide (CID 46185193) is 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide is CCN(n1cc2nc(-c3ccc(F)cc3)c(C(=O)NC)c-2cc1-c1cccc(C(=O)NC2(c3ccccn3)CC2)c1)S(C)(=O)=O.

What is the InChIKey of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide?

The InChIKey is WBIRNRFJRFGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN6O4S/c1-4-40(45(3,43)44)39-20-26-25(29(32(42)35-2)30(37-26)21-11-13-24(34)14-12-21)19-27(39)22-8-7-9-23(18-22)31(41)38-33(15-16-33)28-10-5-6-17-36-28/h5-14,17-20H,4,15-16H2,1-3H3,(H,35,42)(H,38,41).

What are the key properties of 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide?

6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 626.71 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46185193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).