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

C24H24F3N7O2S — CID 177236025

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

2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide (PubChem CID 177236025) has the molecular formula C24H24F3N7O2S and a molecular weight of 531.56 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
• PubChem CID: 177236025
• Molecular Formula: C24H24F3N7O2S
• Molecular Weight: 531.56 g/mol
• Exact Mass: 531.17
• IUPAC Name: 2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
• SMILES: CCS(=O)(=NC(=O)CC1CC1)c1nn2c(C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
• InChI: InChI=1S/C24H24F3N7O2S/c1-3-37(36,32-18(35)10-13-4-5-13)23-19(21-28-9-8-17(14-6-7-14)34(21)31-23)22-30-16-11-15(24(25,26)27)12-29-20(16)33(22)2/h8-9,11-14H,3-7,10H2,1-2H3
• InChIKey: MRUFYJPZWFXUJP-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 107.40 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.56
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide (CID 177236025) is 2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide.

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

The canonical SMILES for 2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide is CCS(=O)(=NC(=O)CC1CC1)c1nn2c(C3CC3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.

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

The InChIKey is MRUFYJPZWFXUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2S/c1-3-37(36,32-18(35)10-13-4-5-13)23-19(21-28-9-8-17(14-6-7-14)34(21)31-23)22-30-16-11-15(24(25,26)27)12-29-20(16)33(22)2/h8-9,11-14H,3-7,10H2,1-2H3.

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

2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 531.56 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 177236025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).