1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride

C14H19ClN2 — CID 158417064

IUPAC1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
SMILESCl.c1cnc2ccn(CC3CCCCC3)c2c1
InChIInChI=1S/C14H18N2.ClH/c1-2-5-12(6-3-1)11-16-10-8-13-14(16)7-4-9-15-13;/h4,7-10,12H,1-3,5-6,11H2;1H
InChIKeyDBRKPEHEPQXACL-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.04
Rot. Bonds2

About 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride

1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride (PubChem CID 158417064) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
PubChem CID158417064
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
SMILESCl.c1cnc2ccn(CC3CCCCC3)c2c1
InChIInChI=1S/C14H18N2.ClH/c1-2-5-12(6-3-1)11-16-10-8-13-14(16)7-4-9-15-13;/h4,7-10,12H,1-3,5-6,11H2;1H
InChIKeyDBRKPEHEPQXACL-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride?
The IUPAC name of 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride (CID 158417064) is 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride is Cl.c1cnc2ccn(CC3CCCCC3)c2c1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride?
The InChIKey is DBRKPEHEPQXACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c1-2-5-12(6-3-1)11-16-10-8-13-14(16)7-4-9-15-13;/h4,7-10,12H,1-3,5-6,11H2;1H.
What are the key properties of 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride?
1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride is sourced from PubChem (CID 158417064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).