6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine

C26H28N4O — CID 97415265

IUPAC6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
SMILESCOc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C26H28N4O/c1-29-18-27-26-24(29)16-23(28-25(26)21-6-4-3-5-7-21)20-12-14-30(15-13-20)17-19-8-10-22(31-2)11-9-19/h3-11,16,18,20H,12-15,17H2,1-2H3
InChIKeyFNPZWXKGLPYMEI-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.02
Rot. Bonds5

About 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine

6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine (PubChem CID 97415265) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
PubChem CID97415265
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
SMILESCOc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C26H28N4O/c1-29-18-27-26-24(29)16-23(28-25(26)21-6-4-3-5-7-21)20-12-14-30(15-13-20)17-19-8-10-22(31-2)11-9-19/h3-11,16,18,20H,12-15,17H2,1-2H3
InChIKeyFNPZWXKGLPYMEI-UHFFFAOYSA-N
XLogP5.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
CID 97415259
6-[1-(cyclopropylmethyl)piperidin-4-yl]-4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridine
CID 97447615
6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine
CID 97415283
4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851768
[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 97415324
6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155849243
furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850386
1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine
CID 97415349
2-benzyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299300
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
5-methyl-3-[[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97447652
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine (CID 97415265) is 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine is COc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine?
The InChIKey is FNPZWXKGLPYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-29-18-27-26-24(29)16-23(28-25(26)21-6-4-3-5-7-21)20-12-14-30(15-13-20)17-19-8-10-22(31-2)11-9-19/h3-11,16,18,20H,12-15,17H2,1-2H3.
What are the key properties of 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine?
6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine has a molecular weight of 412.54 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine is sourced from PubChem (CID 97415265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).