N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide

C23H24F3N7O4S3 — CID 175681021

About N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide (PubChem CID 175681021) has the molecular formula C23H24F3N7O4S3 and a molecular weight of 615.69 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide
• PubChem CID: 175681021
• Molecular Formula: C23H24F3N7O4S3
• Molecular Weight: 615.69 g/mol
• Exact Mass: 615.10
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide
• SMILES: CC(C)S(=O)(=O)N1CCC(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)=C(F)C1
• InChI: InChI=1S/C23H24F3N7O4S3/c1-12(2)40(36,37)33-7-4-14(17(24)10-33)15-8-13(39(34,35)31-23(11-27)5-6-23)9-16-18(30-32(3)19(15)16)21-28-29-22(38-21)20(25)26/h8-9,12,20,31H,4-7,10H2,1-3H3
• InChIKey: JNUIBZVSJSPATC-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 150.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.69
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide (CID 175681021) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide.

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

The canonical SMILES for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide is CC(C)S(=O)(=O)N1CCC(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(C)c23)=C(F)C1.

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

The InChIKey is JNUIBZVSJSPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O4S3/c1-12(2)40(36,37)33-7-4-14(17(24)10-33)15-8-13(39(34,35)31-23(11-27)5-6-23)9-16-18(30-32(3)19(15)16)21-28-29-22(38-21)20(25)26/h8-9,12,20,31H,4-7,10H2,1-3H3.

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

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide has a molecular weight of 615.69 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(5-fluoro-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1-methylindazole-5-sulfonamide is sourced from PubChem (CID 175681021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).