N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C21H17F4N5O2 — CID 140801502

About N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 140801502) has the molecular formula C21H17F4N5O2 and a molecular weight of 447.39 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 140801502
• Molecular Formula: C21H17F4N5O2
• Molecular Weight: 447.39 g/mol
• Exact Mass: 447.13
• IUPAC Name: N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: Cc1cc(N2CC(C)n3ncc(C(=O)Nc4ccc(F)cn4)c3C2=O)ccc1C(F)(F)F
• InChI: InChI=1S/C21H17F4N5O2/c1-11-7-14(4-5-16(11)21(23,24)25)29-10-12(2)30-18(20(29)32)15(9-27-30)19(31)28-17-6-3-13(22)8-26-17/h3-9,12H,10H2,1-2H3,(H,26,28,31)
• InChIKey: BWMZSAWYZRDKMY-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.39
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 140801502) is N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1cc(N2CC(C)n3ncc(C(=O)Nc4ccc(F)cn4)c3C2=O)ccc1C(F)(F)F.

What is the InChIKey of N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is BWMZSAWYZRDKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O2/c1-11-7-14(4-5-16(11)21(23,24)25)29-10-12(2)30-18(20(29)32)15(9-27-30)19(31)28-17-6-3-13(22)8-26-17/h3-9,12H,10H2,1-2H3,(H,26,28,31).

What are the key properties of N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 447.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 140801502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).