5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide

C24H23F3N6O2 — CID 123226144

About 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide

5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 123226144) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 123226144
• Molecular Formula: C24H23F3N6O2
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.18
• IUPAC Name: 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2cnn3ccc(C(O)N(c4ccc(C(F)(F)F)cn4)C(C)C)cc23)cn1
• InChI: InChI=1S/C24H23F3N6O2/c1-14(2)33(21-7-5-17(12-30-21)24(25,26)27)23(35)15-8-9-32-20(10-15)18(13-31-32)16-4-6-19(29-11-16)22(34)28-3/h4-14,23,35H,1-3H3,(H,28,34)
• InChIKey: KSHZYYRXDZHXTH-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 95.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide (CID 123226144) is 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cnn3ccc(C(O)N(c4ccc(C(F)(F)F)cn4)C(C)C)cc23)cn1.

What is the InChIKey of 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is KSHZYYRXDZHXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-14(2)33(21-7-5-17(12-30-21)24(25,26)27)23(35)15-8-9-32-20(10-15)18(13-31-32)16-4-6-19(29-11-16)22(34)28-3/h4-14,23,35H,1-3H3,(H,28,34).

What are the key properties of 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide?

5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[hydroxy-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrazolo[1,5-a]pyridin-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 123226144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).