2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C20H24N6O — CID 97278762

IUPAC2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)c1
InChIInChI=1S/C20H24N6O/c1-16-11-23-26(12-16)15-19(27)24-9-2-3-18(14-24)20-22-8-10-25(20)13-17-4-6-21-7-5-17/h4-8,10-12,18H,2-3,9,13-15H2,1H3/t18-/m1/s1
InChIKeyMNDGIEQJEHRDPN-GOSISDBHSA-N
MW364.45 g/mol
LogP2.24
Rot. Bonds5

About 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97278762) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID97278762
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)c1
InChIInChI=1S/C20H24N6O/c1-16-11-23-26(12-16)15-19(27)24-9-2-3-18(14-24)20-22-8-10-25(20)13-17-4-6-21-7-5-17/h4-8,10-12,18H,2-3,9,13-15H2,1H3/t18-/m1/s1
InChIKeyMNDGIEQJEHRDPN-GOSISDBHSA-N
XLogP2.24
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97121194
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
[2-oxo-2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147491
[2-oxo-2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147492
3-cyclopentyl-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97282759
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281406
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97275108
3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72879379
1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 97117065
3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97276548
(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97268216

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97278762) is 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cc1cnn(CC(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is MNDGIEQJEHRDPN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16-11-23-26(12-16)15-19(27)24-9-2-3-18(14-24)20-22-8-10-25(20)13-17-4-6-21-7-5-17/h4-8,10-12,18H,2-3,9,13-15H2,1H3/t18-/m1/s1.
What are the key properties of 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97278762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).