4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine

C24H30N4O — CID 95814381

IUPAC4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine
SMILESCOc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(Cc3ccnn3C)C2)c1
InChIInChI=1S/C24H30N4O/c1-18-13-19(14-20-7-4-5-9-24(20)29-3)15-23(26-18)21-8-6-12-28(16-21)17-22-10-11-25-27(22)2/h4-5,7,9-11,13,15,21H,6,8,12,14,16-17H2,1-3H3/t21-/m1/s1
InChIKeyBJPLGYMPCXGVLB-OAQYLSRUSA-N
MW390.53 g/mol
LogP4.10
Rot. Bonds6

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

4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine (PubChem CID 95814381) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine
PubChem CID95814381
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine
SMILESCOc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(Cc3ccnn3C)C2)c1
InChIInChI=1S/C24H30N4O/c1-18-13-19(14-20-7-4-5-9-24(20)29-3)15-23(26-18)21-8-6-12-28(16-21)17-22-10-11-25-27(22)2/h4-5,7,9-11,13,15,21H,6,8,12,14,16-17H2,1-3H3/t21-/m1/s1
InChIKeyBJPLGYMPCXGVLB-OAQYLSRUSA-N
XLogP4.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine with MolForge

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Related Compounds

2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine
CID 95814383
4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
CID 92617071
[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone
CID 92616998
2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
CID 110256586
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95832568
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95832569
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078
1-[3-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 110253844
5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 110245298
7-(difluoromethyl)-5-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92601814
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine (CID 95814381) is 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine is COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(Cc3ccnn3C)C2)c1.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine?
The InChIKey is BJPLGYMPCXGVLB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-13-19(14-20-7-4-5-9-24(20)29-3)15-23(26-18)21-8-6-12-28(16-21)17-22-10-11-25-27(22)2/h4-5,7,9-11,13,15,21H,6,8,12,14,16-17H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine?
4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine has a molecular weight of 390.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine is sourced from PubChem (CID 95814381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).