N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide

C24H25F2N7O3S2 — CID 168679173

About N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide (PubChem CID 168679173) has the molecular formula C24H25F2N7O3S2 and a molecular weight of 561.64 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide
• PubChem CID: 168679173
• Molecular Formula: C24H25F2N7O3S2
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.14
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide
• SMILES: CC(C)C(=O)N1CC=C(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1
• InChI: InChI=1S/C24H25F2N7O3S2/c1-13(2)23(34)33-8-4-14(5-9-33)16-10-15(38(35,36)31-24(12-27)6-7-24)11-17-18(30-32(3)19(16)17)21-28-29-22(37-21)20(25)26/h4,10-11,13,20,31H,5-9H2,1-3H3
• InChIKey: FOMVOVQRJYCVAH-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 133.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide?

The IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide (CID 168679173) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide.

What is the SMILES notation for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide?

The canonical SMILES for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide is CC(C)C(=O)N1CC=C(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)CC1.

What is the InChIKey of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide?

The InChIKey is FOMVOVQRJYCVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O3S2/c1-13(2)23(34)33-8-4-14(5-9-33)16-10-15(38(35,36)31-24(12-27)6-7-24)11-17-18(30-32(3)19(16)17)21-28-29-22(37-21)20(25)26/h4,10-11,13,20,31H,5-9H2,1-3H3.

What are the key properties of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide?

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide has a molecular weight of 561.64 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-5-sulfonamide is sourced from PubChem (CID 168679173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).