(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone

C22H23N5O2 — CID 32772858

IUPAC(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-2-17-3-5-18(6-4-17)21(28)25-11-13-26(14-12-25)22(29)19-7-8-20(24-15-19)27-10-9-23-16-27/h3-10,15-16H,2,11-14H2,1H3
InChIKeyKHWARVPKEQILDI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.43
Rot. Bonds4

About (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 32772858) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID32772858
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-2-17-3-5-18(6-4-17)21(28)25-11-13-26(14-12-25)22(29)19-7-8-20(24-15-19)27-10-9-23-16-27/h3-10,15-16H,2,11-14H2,1H3
InChIKeyKHWARVPKEQILDI-UHFFFAOYSA-N
XLogP2.43
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 39975735
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 112816808
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 38210690
(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97314443

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone (CID 32772858) is (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KHWARVPKEQILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-17-3-5-18(6-4-17)21(28)25-11-13-26(14-12-25)22(29)19-7-8-20(24-15-19)27-10-9-23-16-27/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32772858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).