1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide

C₂₄H₂₁F₃N₆O — CID 177051197

About 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide

1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (PubChem CID 177051197) has the molecular formula C₂₄H₂₁F₃N₆O and a molecular weight of 466.47 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
• PubChem CID: 177051197
• Molecular Formula: C₂₄H₂₁F₃N₆O
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.17
• IUPAC Name: 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
• SMILES: Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
• InChI: InChI=1S/C24H21F3N6O/c1-32-21(14-18(30-32)15-6-3-2-4-7-15)23(34)29-17-8-5-11-33-20(17)13-19(31-33)16-9-10-28-22(12-16)24(25,26)27/h2-4,6-7,9-10,12-14,17H,5,8,11H2,1H3,(H,29,34)/t17-/m0/s1
• InChIKey: QBGIYTXJSUJMSQ-KRWDZBQOSA-N
• XLogP: 4.63
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?

The IUPAC name of 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (CID 177051197) is 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21.

What is the InChIKey of 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?

The InChIKey is QBGIYTXJSUJMSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-32-21(14-18(30-32)15-6-3-2-4-7-15)23(34)29-17-8-5-11-33-20(17)13-19(31-33)16-9-10-28-22(12-16)24(25,26)27/h2-4,6-7,9-10,12-14,17H,5,8,11H2,1H3,(H,29,34)/t17-/m0/s1.

What are the key properties of 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?

1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177051197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177051197 — identifiers, structure, computed properties (public domain)

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