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

C19H22N6O — CID 74240394

IUPAC[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1
InChIInChI=1S/C19H22N6O/c1-2-24-12-9-21-18(24)14-6-10-25(11-7-14)19(26)17-13-16(22-23-17)15-5-3-4-8-20-15/h3-5,8-9,12-14H,2,6-7,10-11H2,1H3,(H,22,23)
InChIKeyZADFXQFUHMOOTB-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.71
Rot. Bonds4

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

[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone (PubChem CID 74240394) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
PubChem CID74240394
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
SMILESCCn1ccnc1C1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1
InChIInChI=1S/C19H22N6O/c1-2-24-12-9-21-18(24)14-6-10-25(11-7-14)19(26)17-13-16(22-23-17)15-5-3-4-8-20-15/h3-5,8-9,12-14H,2,6-7,10-11H2,1H3,(H,22,23)
InChIKeyZADFXQFUHMOOTB-UHFFFAOYSA-N
XLogP2.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70782941
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 70848684
1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 72932090
(3-bromophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799842
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
2-(4-chlorophenyl)-1-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 50799767
[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 72897297
(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799893
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 72935518
N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 50799662
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92751845
(3-chlorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799985

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone (CID 74240394) is [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone is CCn1ccnc1C1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1.
What is the InChIKey of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is ZADFXQFUHMOOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-24-12-9-21-18(24)14-6-10-25(11-7-14)19(26)17-13-16(22-23-17)15-5-3-4-8-20-15/h3-5,8-9,12-14H,2,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone?
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 74240394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).