N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide

C24H26F3N7O5S3 — CID 175681026

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

N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide (PubChem CID 175681026) has the molecular formula C24H26F3N7O5S3 and a molecular weight of 645.71 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide
• PubChem CID: 175681026
• Molecular Formula: C24H26F3N7O5S3
• Molecular Weight: 645.71 g/mol
• Exact Mass: 645.11
• IUPAC Name: N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide
• SMILES: CC(C)S(=O)(=O)N1CCC(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)(F)F)s4)nn(C)c23)=C(CO)C1
• InChI: InChI=1S/C24H26F3N7O5S3/c1-13(2)42(38,39)34-7-4-16(14(10-34)11-35)17-8-15(41(36,37)32-23(12-28)5-6-23)9-18-19(31-33(3)20(17)18)21-29-30-22(40-21)24(25,26)27/h8-9,13,32,35H,4-7,10-11H2,1-3H3
• InChIKey: UUBFFFZKVUMSGE-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 171.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.71
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide (CID 175681026) is N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide.

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

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

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

The InChIKey is UUBFFFZKVUMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O5S3/c1-13(2)42(38,39)34-7-4-16(14(10-34)11-35)17-8-15(41(36,37)32-23(12-28)5-6-23)9-18-19(31-33(3)20(17)18)21-29-30-22(40-21)24(25,26)27/h8-9,13,32,35H,4-7,10-11H2,1-3H3.

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

N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide has a molecular weight of 645.71 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyanocyclopropyl)-7-[5-(hydroxymethyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-5-sulfonamide is sourced from PubChem (CID 175681026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).