2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide

C24H31F2N7O3S2 — CID 178144796

About 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide

2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 178144796) has the molecular formula C24H31F2N7O3S2 and a molecular weight of 567.69 g/mol. Its IUPAC name is 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
• PubChem CID: 178144796
• Molecular Formula: C24H31F2N7O3S2
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.19
• IUPAC Name: 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide
• SMILES: CC1(C)CN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)c(C4CC4)nc23)C[C@H](CO)N1
• InChI: InChI=1S/C24H31F2N7O3S2/c1-23(2)12-32(9-14(11-34)28-23)16-8-15(38(35,36)31-24(3)6-7-24)10-33-18(17(13-4-5-13)27-20(16)33)21-29-30-22(37-21)19(25)26/h8,10,13-14,19,28,31,34H,4-7,9,11-12H2,1-3H3/t14-/m1/s1
• InChIKey: IIFGKDKIKLIZNT-CQSZACIVSA-N
• XLogP: 3.05
• TPSA: 124.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

The IUPAC name of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide (CID 178144796) is 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide.

What is the SMILES notation for 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

The canonical SMILES for 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is CC1(C)CN(c2cc(S(=O)(=O)NC3(C)CC3)cn3c(-c4nnc(C(F)F)s4)c(C4CC4)nc23)C[C@H](CO)N1.

What is the InChIKey of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

The InChIKey is IIFGKDKIKLIZNT-CQSZACIVSA-N. The full InChI is InChI=1S/C24H31F2N7O3S2/c1-23(2)12-32(9-14(11-34)28-23)16-8-15(38(35,36)31-24(3)6-7-24)10-33-18(17(13-4-5-13)27-20(16)33)21-29-30-22(37-21)19(25)26/h8,10,13-14,19,28,31,34H,4-7,9,11-12H2,1-3H3/t14-/m1/s1.

What are the key properties of 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide?

2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 567.69 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(5R)-5-(hydroxymethyl)-3,3-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).