cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate

C15H18N2O2 — CID 154465972

IUPACcyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate
SMILESO=C(OCC1CCCCC1)c1ccnc2cc[nH]c12
InChIInChI=1S/C15H18N2O2/c18-15(19-10-11-4-2-1-3-5-11)12-6-8-16-13-7-9-17-14(12)13/h6-9,11,17H,1-5,10H2
InChIKeyWOHVHQUHSIHERJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.30
Rot. Bonds3

About cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate

cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate (PubChem CID 154465972) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate
PubChem CID154465972
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namecyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate
SMILESO=C(OCC1CCCCC1)c1ccnc2cc[nH]c12
InChIInChI=1S/C15H18N2O2/c18-15(19-10-11-4-2-1-3-5-11)12-6-8-16-13-7-9-17-14(12)13/h6-9,11,17H,1-5,10H2
InChIKeyWOHVHQUHSIHERJ-UHFFFAOYSA-N
XLogP3.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

cyclohexylmethyl 2-fluoropyridine-3-carboxylate
CID 107271838
cycloheptylmethyl 2-bromopyridine-4-carboxylate
CID 114249026
cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
CID 113277656
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
cyclopentylmethyl 4-amino-2-hydroxybenzoate
CID 66323288
cyclopentylmethyl 2-chloro-5-sulfanylbenzoate
CID 107018905
[(3S)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319363

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate?
The IUPAC name of cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate (CID 154465972) is cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate is O=C(OCC1CCCCC1)c1ccnc2cc[nH]c12.
What is the InChIKey of cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate?
The InChIKey is WOHVHQUHSIHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19-10-11-4-2-1-3-5-11)12-6-8-16-13-7-9-17-14(12)13/h6-9,11,17H,1-5,10H2.
What are the key properties of cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate?
cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 1H-pyrrolo[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 154465972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).