N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide

C20H16F3N5O2 — CID 118693814

About N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide

N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide (PubChem CID 118693814) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
• PubChem CID: 118693814
• Molecular Formula: C20H16F3N5O2
• Molecular Weight: 415.38 g/mol
• Exact Mass: 415.13
• IUPAC Name: N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3cccnc3)cnn21
• InChI: InChI=1S/C20H16F3N5O2/c1-12-11-27(15-6-4-14(5-7-15)20(21,22)23)19(30)17-16(10-25-28(12)17)26-18(29)13-3-2-8-24-9-13/h2-10,12H,11H2,1H3,(H,26,29)/t12-/m1/s1
• InChIKey: PJDYNEFLRQABGP-GFCCVEGCSA-N
• XLogP: 3.77
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.38
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide (CID 118693814) is N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3cccnc3)cnn21.

What is the InChIKey of N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

The InChIKey is PJDYNEFLRQABGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-12-11-27(15-6-4-14(5-7-15)20(21,22)23)19(30)17-16(10-25-28(12)17)26-18(29)13-3-2-8-24-9-13/h2-10,12H,11H2,1H3,(H,26,29)/t12-/m1/s1.

What are the key properties of N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide?

N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide has a molecular weight of 415.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118693814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).