ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C20H21F3N6OS — CID 177236341

About ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 177236341) has the molecular formula C20H21F3N6OS and a molecular weight of 450.49 g/mol. Its IUPAC name is ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 177236341
• Molecular Formula: C20H21F3N6OS
• Molecular Weight: 450.49 g/mol
• Exact Mass: 450.14
• IUPAC Name: ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: CC.CCSc1nn2c(C(=O)NC)ccnc2c1-c1cn2cc(C(F)(F)F)ccc2n1
• InChI: InChI=1S/C18H15F3N6OS.C2H6/c1-3-29-17-14(15-23-7-6-12(16(28)22-2)27(15)25-17)11-9-26-8-10(18(19,20)21)4-5-13(26)24-11;1-2/h4-9H,3H2,1-2H3,(H,22,28);1-2H3
• InChIKey: VDFXIYKHCLEFEU-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 76.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.49
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 177236341) is ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC.CCSc1nn2c(C(=O)NC)ccnc2c1-c1cn2cc(C(F)(F)F)ccc2n1.

What is the InChIKey of ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is VDFXIYKHCLEFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6OS.C2H6/c1-3-29-17-14(15-23-7-6-12(16(28)22-2)27(15)25-17)11-9-26-8-10(18(19,20)21)4-5-13(26)24-11;1-2/h4-9H,3H2,1-2H3,(H,22,28);1-2H3.

What are the key properties of ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-ethylsulfanyl-N-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 177236341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).