N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide

C29H35F2N7O4S — CID 164555698

About N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide

N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide (PubChem CID 164555698) has the molecular formula C29H35F2N7O4S and a molecular weight of 615.71 g/mol. Its IUPAC name is N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
• PubChem CID: 164555698
• Molecular Formula: C29H35F2N7O4S
• Molecular Weight: 615.71 g/mol
• Exact Mass: 615.24
• IUPAC Name: N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
• SMILES: CCc1c(-c2cc3ccc(N(C(F)F)S(C)(=O)=O)nc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)cc(OC)n12
• InChI: InChI=1S/C29H35F2N7O4S/c1-4-21-26(33-24-13-19(14-25(42-2)37(21)24)28(39)35-11-5-6-20(32)16-35)22-12-18-9-10-23(38(29(30)31)43(3,40)41)34-27(18)36(22)15-17-7-8-17/h9-10,12-14,17,20,29H,4-8,11,15-16,32H2,1-3H3/t20-/m1/s1
• InChIKey: FJYJZQXSONBQOY-HXUWFJFHSA-N
• XLogP: 3.88
• TPSA: 128.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.71
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

The IUPAC name of N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide (CID 164555698) is N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide.

What is the SMILES notation for N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

The canonical SMILES for N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide is CCc1c(-c2cc3ccc(N(C(F)F)S(C)(=O)=O)nc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)cc(OC)n12.

What is the InChIKey of N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

The InChIKey is FJYJZQXSONBQOY-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H35F2N7O4S/c1-4-21-26(33-24-13-19(14-25(42-2)37(21)24)28(39)35-11-5-6-20(32)16-35)22-12-18-9-10-23(38(29(30)31)43(3,40)41)34-27(18)36(22)15-17-7-8-17/h9-10,12-14,17,20,29H,4-8,11,15-16,32H2,1-3H3/t20-/m1/s1.

What are the key properties of N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide has a molecular weight of 615.71 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-3-ethyl-5-methoxyimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide is sourced from PubChem (CID 164555698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).