1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol

C25H33FN6O — CID 148525617

IUPAC1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol
SMILESCc1cc2c(nc(N3CCNCC3)n2Cc2ccc(F)c(C)c2)c(CN2CCC(O)CC2)n1
InChIInChI=1S/C25H33FN6O/c1-17-13-19(3-4-21(17)26)15-32-23-14-18(2)28-22(16-30-9-5-20(33)6-10-30)24(23)29-25(32)31-11-7-27-8-12-31/h3-4,13-14,20,27,33H,5-12,15-16H2,1-2H3
InChIKeyMPGVSPCWNBNEDJ-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.60
Rot. Bonds5

About 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol

1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol (PubChem CID 148525617) has the molecular formula C25H33FN6O and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol
PubChem CID148525617
Molecular FormulaC25H33FN6O
Molecular Weight452.58 g/mol
Exact Mass452.27
IUPAC Name1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol
SMILESCc1cc2c(nc(N3CCNCC3)n2Cc2ccc(F)c(C)c2)c(CN2CCC(O)CC2)n1
InChIInChI=1S/C25H33FN6O/c1-17-13-19(3-4-21(17)26)15-32-23-14-18(2)28-22(16-30-9-5-20(33)6-10-30)24(23)29-25(32)31-11-7-27-8-12-31/h3-4,13-14,20,27,33H,5-12,15-16H2,1-2H3
InChIKeyMPGVSPCWNBNEDJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine
CID 151812576
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 152508100
[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl]methanol
CID 153290555
4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole
CID 157499658
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
CID 151900391
1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 153290721
[1-[(3-chloro-4-fluorophenyl)methyl]-2-(1,4-diazepan-1-yl)-5,6-dimethylbenzimidazol-4-yl] 2,2,2-trifluoroacetate
CID 153290615
1-[1-[(4-fluoro-3-methylphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-amine
CID 150154096
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-yl-4-[2-(4-propan-2-ylphenyl)pyrazol-3-yl]benzimidazole
CID 153290625
(1R)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]prop-2-en-1-amine
CID 153290745
1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole
CID 153290712
1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
CID 84753153

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol (CID 148525617) is 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol is Cc1cc2c(nc(N3CCNCC3)n2Cc2ccc(F)c(C)c2)c(CN2CCC(O)CC2)n1.
What is the InChIKey of 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol?
The InChIKey is MPGVSPCWNBNEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O/c1-17-13-19(3-4-21(17)26)15-32-23-14-18(2)28-22(16-30-9-5-20(33)6-10-30)24(23)29-25(32)31-11-7-27-8-12-31/h3-4,13-14,20,27,33H,5-12,15-16H2,1-2H3.
What are the key properties of 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol?
1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol has a molecular weight of 452.58 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 148525617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).