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

C26H32F2N8O4S3 — CID 175680980

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

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole-5-sulfonamide (PubChem CID 175680980) has the molecular formula C26H32F2N8O4S3 and a molecular weight of 654.79 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-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-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole-5-sulfonamide
• PubChem CID: 175680980
• Molecular Formula: C26H32F2N8O4S3
• Molecular Weight: 654.79 g/mol
• Exact Mass: 654.17
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole-5-sulfonamide
• SMILES: CC(C)S(=O)(=O)N1CC=C(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CCN(C)C)c23)CC1
• InChI: InChI=1S/C26H32F2N8O4S3/c1-16(2)43(39,40)35-9-5-17(6-10-35)19-13-18(42(37,38)33-26(15-29)7-8-26)14-20-21(24-30-31-25(41-24)23(27)28)32-36(22(19)20)12-11-34(3)4/h5,13-14,16,23,33H,6-12H2,1-4H3
• InChIKey: NUGOGVJGSUNFME-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 154.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.79
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-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-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole-5-sulfonamide (CID 175680980) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-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-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-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-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole-5-sulfonamide is CC(C)S(=O)(=O)N1CC=C(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CCN(C)C)c23)CC1.

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

The InChIKey is NUGOGVJGSUNFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N8O4S3/c1-16(2)43(39,40)35-9-5-17(6-10-35)19-13-18(42(37,38)33-26(15-29)7-8-26)14-20-21(24-30-31-25(41-24)23(27)28)32-36(22(19)20)12-11-34(3)4/h5,13-14,16,23,33H,6-12H2,1-4H3.

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

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole-5-sulfonamide has a molecular weight of 654.79 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 11 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-[2-(dimethylamino)ethyl]-7-(1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indazole-5-sulfonamide is sourced from PubChem (CID 175680980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).