4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide

C22H23FN4O2 — CID 129017559

About 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide

4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide (PubChem CID 129017559) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide
• PubChem CID: 129017559
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.18
• IUPAC Name: 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide
• SMILES: Cc1cnc(C(=O)N[C@H]2CCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1F
• InChI: InChI=1S/C22H23FN4O2/c1-14-13-24-20(22(29)26-19-4-2-5-21(19)28)11-16(14)10-15-6-7-17(12-18(15)23)27-9-3-8-25-27/h3,6-9,11-13,19,21,28H,2,4-5,10H2,1H3,(H,26,29)/t19-,21-/m0/s1
• InChIKey: HYFFTXOULONUTO-FPOVZHCZSA-N
• XLogP: 2.95
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide?

The IUPAC name of 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide (CID 129017559) is 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1F.

What is the InChIKey of 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide?

The InChIKey is HYFFTXOULONUTO-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-13-24-20(22(29)26-19-4-2-5-21(19)28)11-16(14)10-15-6-7-17(12-18(15)23)27-9-3-8-25-27/h3,6-9,11-13,19,21,28H,2,4-5,10H2,1H3,(H,26,29)/t19-,21-/m0/s1.

What are the key properties of 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide?

4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 129017559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).