cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

C21H29N5O — CID 95842111

About cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95842111) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 95842111
• Molecular Formula: C21H29N5O
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.24
• IUPAC Name: cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1cc(Nc2cccc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)n[nH]1
• InChI: InChI=1S/C21H29N5O/c1-15-13-20(25-24-15)23-19-11-5-10-18(22-19)17-9-6-12-26(14-17)21(27)16-7-3-2-4-8-16/h5,10-11,13,16-17H,2-4,6-9,12,14H2,1H3,(H2,22,23,24,25)/t17-/m1/s1
• InChIKey: VZEPAVDXFBDTTM-QGZVFWFLSA-N
• XLogP: 4.14
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (CID 95842111) is cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is Cc1cc(Nc2cccc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)n[nH]1.

What is the InChIKey of cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is VZEPAVDXFBDTTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-13-20(25-24-15)23-19-11-5-10-18(22-19)17-9-6-12-26(14-17)21(27)16-7-3-2-4-8-16/h5,10-11,13,16-17H,2-4,6-9,12,14H2,1H3,(H2,22,23,24,25)/t17-/m1/s1.

What are the key properties of cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 367.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95842111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).