N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide

C21H21F2N7O3S2 — CID 177049728

About N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide (PubChem CID 177049728) has the molecular formula C21H21F2N7O3S2 and a molecular weight of 521.58 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide
• PubChem CID: 177049728
• Molecular Formula: C21H21F2N7O3S2
• Molecular Weight: 521.58 g/mol
• Exact Mass: 521.11
• IUPAC Name: N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide
• SMILES: N#CC1(NS(=O)(=O)c2cc(N3CCC4(CC3)COC4)n3ncc(-c4nnc(C(F)F)s4)c3c2)CC1
• InChI: InChI=1S/C21H21F2N7O3S2/c22-17(23)19-27-26-18(34-19)14-9-25-30-15(14)7-13(35(31,32)28-21(10-24)1-2-21)8-16(30)29-5-3-20(4-6-29)11-33-12-20/h7-9,17,28H,1-6,11-12H2
• InChIKey: OBCHIUXTHMRAPT-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 125.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.58
LogP ≤ 5	2.74
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-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide?

The IUPAC name of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide (CID 177049728) is N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide.

What is the SMILES notation for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide?

The canonical SMILES for N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide is N#CC1(NS(=O)(=O)c2cc(N3CCC4(CC3)COC4)n3ncc(-c4nnc(C(F)F)s4)c3c2)CC1.

What is the InChIKey of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide?

The InChIKey is OBCHIUXTHMRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O3S2/c22-17(23)19-27-26-18(34-19)14-9-25-30-15(14)7-13(35(31,32)28-21(10-24)1-2-21)8-16(30)29-5-3-20(4-6-29)11-33-12-20/h7-9,17,28H,1-6,11-12H2.

What are the key properties of N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide?

N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide has a molecular weight of 521.58 g/mol, XLogP of 2.74, 6 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-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrazolo[1,5-a]pyridine-5-sulfonamide is sourced from PubChem (CID 177049728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).