N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

C27H26F2N6O3S — CID 118590596

About N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590596) has the molecular formula C27H26F2N6O3S and a molecular weight of 552.61 g/mol. Its IUPAC name is N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590596
• Molecular Formula: C27H26F2N6O3S
• Molecular Weight: 552.61 g/mol
• Exact Mass: 552.18
• IUPAC Name: N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NS(=O)(=O)N(CC1CC1)c1cccnc1)c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12
• InChI: InChI=1S/C27H26F2N6O3S/c28-19-7-9-23(29)22(13-19)24-4-2-12-33(24)21-8-10-26-31-15-25(34(26)17-21)27(36)32-39(37,38)35(16-18-5-6-18)20-3-1-11-30-14-20/h1,3,7-11,13-15,17-18,24H,2,4-6,12,16H2,(H,32,36)
• InChIKey: YBRHRHUQQWNYNR-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 99.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.61
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590596) is N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NS(=O)(=O)N(CC1CC1)c1cccnc1)c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12.

What is the InChIKey of N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is YBRHRHUQQWNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3S/c28-19-7-9-23(29)22(13-19)24-4-2-12-33(24)21-8-10-26-31-15-25(34(26)17-21)27(36)32-39(37,38)35(16-18-5-6-18)20-3-1-11-30-14-20/h1,3,7-11,13-15,17-18,24H,2,4-6,12,16H2,(H,32,36).

What are the key properties of N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 552.61 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).