N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide

C21H20F3N7O2S — CID 177235986

About N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide

N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide (PubChem CID 177235986) has the molecular formula C21H20F3N7O2S and a molecular weight of 491.50 g/mol. Its IUPAC name is N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

• Compound Name: N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
• PubChem CID: 177235986
• Molecular Formula: C21H20F3N7O2S
• Molecular Weight: 491.50 g/mol
• Exact Mass: 491.14
• IUPAC Name: N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
• SMILES: CCS(=O)(=NC(C)=O)c1nn2c(C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C21H20F3N7O2S/c1-4-34(33,29-11(2)32)20-17(18-25-8-7-14(12-5-6-12)31(18)28-20)19-27-13-9-16(21(22,23)24)26-10-15(13)30(19)3/h7-10,12H,4-6H2,1-3H3
• InChIKey: NJKBCNMQASBVCH-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 107.40 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide?

The IUPAC name of N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide (CID 177235986) is N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide.

What is the SMILES notation for N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide?

The canonical SMILES for N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide is CCS(=O)(=NC(C)=O)c1nn2c(C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide?

The InChIKey is NJKBCNMQASBVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2S/c1-4-34(33,29-11(2)32)20-17(18-25-8-7-14(12-5-6-12)31(18)28-20)19-27-13-9-16(21(22,23)24)26-10-15(13)30(19)3/h7-10,12H,4-6H2,1-3H3.

What are the key properties of N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide?

N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 491.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 177235986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).