(5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C19H22N6O — CID 97149196

About (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97149196) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97149196
• Molecular Formula: C19H22N6O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n[nH]1
• InChI: InChI=1S/C19H22N6O/c1-14-11-17(23-22-14)19(26)25-9-2-3-16(13-25)18-21-8-10-24(18)12-15-4-6-20-7-5-15/h4-8,10-11,16H,2-3,9,12-13H2,1H3,(H,22,23)/t16-/m0/s1
• InChIKey: AZPIVKKDFQMCMV-INIZCTEOSA-N
• XLogP: 2.38
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97149196) is (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n[nH]1.

What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is AZPIVKKDFQMCMV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-11-17(23-22-14)19(26)25-9-2-3-16(13-25)18-21-8-10-24(18)12-15-4-6-20-7-5-15/h4-8,10-11,16H,2-3,9,12-13H2,1H3,(H,22,23)/t16-/m0/s1.

What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1H-pyrazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97149196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).