N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide

C28H33F2N7O3S — CID 167135439

About N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide

N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide (PubChem CID 167135439) has the molecular formula C28H33F2N7O3S and a molecular weight of 585.68 g/mol. Its IUPAC name is N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[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-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
• PubChem CID: 167135439
• Molecular Formula: C28H33F2N7O3S
• Molecular Weight: 585.68 g/mol
• Exact Mass: 585.23
• IUPAC Name: N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
• SMILES: Cc1c(-c2cc3ccc(N(C(F)F)S(C)(=O)=O)nc3n2CC2CC2)nc2cc(C(=O)N3C[C@H](N)CC[C@@H]3C)ccn12
• InChI: InChI=1S/C28H33F2N7O3S/c1-16-4-8-21(31)15-35(16)27(38)20-10-11-34-17(2)25(32-24(34)13-20)22-12-19-7-9-23(37(28(29)30)41(3,39)40)33-26(19)36(22)14-18-5-6-18/h7,9-13,16,18,21,28H,4-6,8,14-15,31H2,1-3H3/t16-,21+/m0/s1
• InChIKey: AKTXSSWGTRSGJV-HRAATJIYSA-N
• XLogP: 4.01
• TPSA: 118.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.68
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[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-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide (CID 167135439) is N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[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-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[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-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide is Cc1c(-c2cc3ccc(N(C(F)F)S(C)(=O)=O)nc3n2CC2CC2)nc2cc(C(=O)N3C[C@H](N)CC[C@@H]3C)ccn12.

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

The InChIKey is AKTXSSWGTRSGJV-HRAATJIYSA-N. The full InChI is InChI=1S/C28H33F2N7O3S/c1-16-4-8-21(31)15-35(16)27(38)20-10-11-34-17(2)25(32-24(34)13-20)22-12-19-7-9-23(37(28(29)30)41(3,39)40)33-26(19)36(22)14-18-5-6-18/h7,9-13,16,18,21,28H,4-6,8,14-15,31H2,1-3H3/t16-,21+/m0/s1.

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

N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide has a molecular weight of 585.68 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide is sourced from PubChem (CID 167135439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).