2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine

C22H26N4 — CID 95810295

IUPAC2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
SMILESCc1cccc(-c2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1
InChIInChI=1S/C22H26N4/c1-17-6-3-7-19(12-17)21-9-4-10-22(24-21)20-8-5-11-26(16-20)15-18-13-23-25(2)14-18/h3-4,6-7,9-10,12-14,20H,5,8,11,15-16H2,1-2H3/t20-/m0/s1
InChIKeyBQBMDYBDYWURBZ-FQEVSTJZSA-N
MW346.48 g/mol
LogP4.17
Rot. Bonds4

About 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine

2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine (PubChem CID 95810295) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
PubChem CID95810295
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
SMILESCc1cccc(-c2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1
InChIInChI=1S/C22H26N4/c1-17-6-3-7-19(12-17)21-9-4-10-22(24-21)20-8-5-11-26(16-20)15-18-13-23-25(2)14-18/h3-4,6-7,9-10,12-14,20H,5,8,11,15-16H2,1-2H3/t20-/m0/s1
InChIKeyBQBMDYBDYWURBZ-FQEVSTJZSA-N
XLogP4.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine 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

2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
CID 95810588
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
5-(3-chlorophenyl)-N,N-dimethyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 92617455
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine?
The IUPAC name of 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine (CID 95810295) is 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine.
What is the SMILES notation for 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine?
The canonical SMILES for 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine is Cc1cccc(-c2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine?
The InChIKey is BQBMDYBDYWURBZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4/c1-17-6-3-7-19(12-17)21-9-4-10-22(24-21)20-8-5-11-26(16-20)15-18-13-23-25(2)14-18/h3-4,6-7,9-10,12-14,20H,5,8,11,15-16H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine?
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine has a molecular weight of 346.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine is sourced from PubChem (CID 95810295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).