N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide

C29H33F2N7O4S — CID 164555840

About N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide

N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide (PubChem CID 164555840) has the molecular formula C29H33F2N7O4S and a molecular weight of 613.69 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
• PubChem CID: 164555840
• Molecular Formula: C29H33F2N7O4S
• Molecular Weight: 613.69 g/mol
• Exact Mass: 613.23
• IUPAC Name: N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
• SMILES: COc1cc(C(=O)N2CCCC23CNC3)cc2nc(-c3cc4ccc(N(C(F)F)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12
• InChI: InChI=1S/C29H33F2N7O4S/c1-17-25(33-23-12-20(13-24(42-2)37(17)23)27(39)36-10-4-9-29(36)15-32-16-29)21-11-19-7-8-22(38(28(30)31)43(3,40)41)34-26(19)35(21)14-18-5-6-18/h7-8,11-13,18,28,32H,4-6,9-10,14-16H2,1-3H3
• InChIKey: RPOTZHYXZFMJGC-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 114.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.69
LogP ≤ 5	3.64
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-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

The IUPAC name of N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide (CID 164555840) is N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide.

What is the SMILES notation for N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

The canonical SMILES for N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide is COc1cc(C(=O)N2CCCC23CNC3)cc2nc(-c3cc4ccc(N(C(F)F)S(C)(=O)=O)nc4n3CC3CC3)c(C)n12.

What is the InChIKey of N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

The InChIKey is RPOTZHYXZFMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N7O4S/c1-17-25(33-23-12-20(13-24(42-2)37(17)23)27(39)36-10-4-9-29(36)15-32-16-29)21-11-19-7-8-22(38(28(30)31)43(3,40)41)34-26(19)35(21)14-18-5-6-18/h7-8,11-13,18,28,32H,4-6,9-10,14-16H2,1-3H3.

What are the key properties of N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide?

N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide has a molecular weight of 613.69 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclopropylmethyl)-2-[7-(2,5-diazaspiro[3.4]octane-5-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide is sourced from PubChem (CID 164555840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).