[3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C21H26N6O — CID 110110975

IUPAC[3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1ncc(-c2ccc(CC3CCCN(C(=O)c4ccn(C)n4)C3)cn2)n1C
InChIInChI=1S/C21H26N6O/c1-15-22-13-20(26(15)3)18-7-6-16(12-23-18)11-17-5-4-9-27(14-17)21(28)19-8-10-25(2)24-19/h6-8,10,12-13,17H,4-5,9,11,14H2,1-3H3
InChIKeyQBAHPSWQFQCXIK-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.62
Rot. Bonds4

About [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110110975) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110110975
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1ncc(-c2ccc(CC3CCCN(C(=O)c4ccn(C)n4)C3)cn2)n1C
InChIInChI=1S/C21H26N6O/c1-15-22-13-20(26(15)3)18-7-6-16(12-23-18)11-17-5-4-9-27(14-17)21(28)19-8-10-25(2)24-19/h6-8,10,12-13,17H,4-5,9,11,14H2,1-3H3
InChIKeyQBAHPSWQFQCXIK-UHFFFAOYSA-N
XLogP2.62
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124942713
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124943393
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124980349
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 95827833
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110110266
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 110110975) is [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cc1ncc(-c2ccc(CC3CCCN(C(=O)c4ccn(C)n4)C3)cn2)n1C.
What is the InChIKey of [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is QBAHPSWQFQCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-22-13-20(26(15)3)18-7-6-16(12-23-18)11-17-5-4-9-27(14-17)21(28)19-8-10-25(2)24-19/h6-8,10,12-13,17H,4-5,9,11,14H2,1-3H3.
What are the key properties of [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110110975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).