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

C22H22F2N4O2 — CID 129017476

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

5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 129017476) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
• PubChem CID: 129017476
• Molecular Formula: C22H22F2N4O2
• Molecular Weight: 412.44 g/mol
• Exact Mass: 412.17
• IUPAC Name: 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
• SMILES: O=C(N[C@H]1CCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)c(C(F)F)cn1
• InChI: InChI=1S/C22H22F2N4O2/c23-21(24)17-13-25-19(22(30)27-18-3-1-4-20(18)29)12-15(17)11-14-5-7-16(8-6-14)28-10-2-9-26-28/h2,5-10,12-13,18,20-21,29H,1,3-4,11H2,(H,27,30)/t18-,20-/m0/s1
• InChIKey: WZKBKJGGNRAWCY-ICSRJNTNSA-N
• XLogP: 3.44
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.44
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 129017476) is 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is O=C(N[C@H]1CCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)c(C(F)F)cn1.

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

The InChIKey is WZKBKJGGNRAWCY-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-21(24)17-13-25-19(22(30)27-18-3-1-4-20(18)29)12-15(17)11-14-5-7-16(8-6-14)28-10-2-9-26-28/h2,5-10,12-13,18,20-21,29H,1,3-4,11H2,(H,27,30)/t18-,20-/m0/s1.

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

5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129017476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).