[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C20H24N6O — CID 72897297

IUPAC[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C20H24N6O/c1-14(2)26-12-9-22-19(26)16-5-10-25(11-6-16)20(27)18-13-17(23-24-18)15-3-7-21-8-4-15/h3-4,7-9,12-14,16H,5-6,10-11H2,1-2H3,(H,23,24)
InChIKeyXCLPEQZHKSQLKB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.27
Rot. Bonds4

About [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 72897297) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID72897297
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C20H24N6O/c1-14(2)26-12-9-22-19(26)16-5-10-25(11-6-16)20(27)18-13-17(23-24-18)15-3-7-21-8-4-15/h3-4,7-9,12-14,16H,5-6,10-11H2,1-2H3,(H,23,24)
InChIKeyXCLPEQZHKSQLKB-UHFFFAOYSA-N
XLogP3.27
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95722063
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72874443
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97140073
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74240394
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375381
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95729066
(4-tert-butylphenyl)-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087727

Frequently Asked Questions

What is the IUPAC name of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 72897297) is [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is CC(C)n1ccnc1C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is XCLPEQZHKSQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(2)26-12-9-22-19(26)16-5-10-25(11-6-16)20(27)18-13-17(23-24-18)15-3-7-21-8-4-15/h3-4,7-9,12-14,16H,5-6,10-11H2,1-2H3,(H,23,24).
What are the key properties of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 72897297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).