1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol

C20H24N4O — CID 69279612

IUPAC1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol
SMILESCn1c(C2(O)CCCN(Cc3ccccc3)CC2)nc2ncccc21
InChIInChI=1S/C20H24N4O/c1-23-17-9-5-12-21-18(17)22-19(23)20(25)10-6-13-24(14-11-20)15-16-7-3-2-4-8-16/h2-5,7-9,12,25H,6,10-11,13-15H2,1H3
InChIKeyHLBRWGLVPVABQS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.84
Rot. Bonds3

About 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol

1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol (PubChem CID 69279612) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol.

Molecular Properties

Compound Name1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol
PubChem CID69279612
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol
SMILESCn1c(C2(O)CCCN(Cc3ccccc3)CC2)nc2ncccc21
InChIInChI=1S/C20H24N4O/c1-23-17-9-5-12-21-18(17)22-19(23)20(25)10-6-13-24(14-11-20)15-16-7-3-2-4-8-16/h2-5,7-9,12,25H,6,10-11,13-15H2,1H3
InChIKeyHLBRWGLVPVABQS-UHFFFAOYSA-N
XLogP2.84
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-methylpiperidin-4-ol
CID 10845913
7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10521333
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
CID 159080609
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol
CID 130546169
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
4-methyl-1-[(1-methylindazol-3-yl)methyl]azepan-4-ol
CID 107407849

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol?
The IUPAC name of 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol (CID 69279612) is 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol.
What is the SMILES notation for 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol?
The canonical SMILES for 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol is Cn1c(C2(O)CCCN(Cc3ccccc3)CC2)nc2ncccc21.
What is the InChIKey of 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol?
The InChIKey is HLBRWGLVPVABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23-17-9-5-12-21-18(17)22-19(23)20(25)10-6-13-24(14-11-20)15-16-7-3-2-4-8-16/h2-5,7-9,12,25H,6,10-11,13-15H2,1H3.
What are the key properties of 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol?
1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol has a molecular weight of 336.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)azepan-4-ol is sourced from PubChem (CID 69279612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).