N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide

C23H21F3N8O — CID 177070286

About N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide

N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide (PubChem CID 177070286) has the molecular formula C23H21F3N8O and a molecular weight of 482.47 g/mol. Its IUPAC name is N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide
• PubChem CID: 177070286
• Molecular Formula: C23H21F3N8O
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.18
• IUPAC Name: N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide
• SMILES: O=C(NC1CCC1)c1cnc(N2CCc3nc[nH]c3[C@H]2c2cc3c(C(F)(F)F)cccn3n2)cn1
• InChI: InChI=1S/C23H21F3N8O/c24-23(25,26)14-5-2-7-34-18(14)9-16(32-34)21-20-15(29-12-30-20)6-8-33(21)19-11-27-17(10-28-19)22(35)31-13-3-1-4-13/h2,5,7,9-13,21H,1,3-4,6,8H2,(H,29,30)(H,31,35)/t21-/m1/s1
• InChIKey: CPXPJQNOJFKEAG-OAQYLSRUSA-N
• XLogP: 3.30
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide?

The IUPAC name of N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide (CID 177070286) is N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide is O=C(NC1CCC1)c1cnc(N2CCc3nc[nH]c3[C@H]2c2cc3c(C(F)(F)F)cccn3n2)cn1.

What is the InChIKey of N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide?

The InChIKey is CPXPJQNOJFKEAG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21F3N8O/c24-23(25,26)14-5-2-7-34-18(14)9-16(32-34)21-20-15(29-12-30-20)6-8-33(21)19-11-27-17(10-28-19)22(35)31-13-3-1-4-13/h2,5,7,9-13,21H,1,3-4,6,8H2,(H,29,30)(H,31,35)/t21-/m1/s1.

What are the key properties of N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide?

N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 177070286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).