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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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).