6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine

C10H12N2 — CID 177129078

IUPAC6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2=NC=CC2N=C1
InChIInChI=1S/C10H12N2/c1-7(2)8-5-10-9(12-6-8)3-4-11-10/h3-7,9H,1-2H3
InChIKeyWMNKNWBQFAFGMU-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds1

About 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine

6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine (PubChem CID 177129078) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
PubChem CID177129078
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2=NC=CC2N=C1
InChIInChI=1S/C10H12N2/c1-7(2)8-5-10-9(12-6-8)3-4-11-10/h3-7,9H,1-2H3
InChIKeyWMNKNWBQFAFGMU-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine 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

Pyrrolobenzazepine
CID 88072644
Azonino[5,6-b]indole
CID 129879581
Benzopyrrolo-1,4-diazonine
CID 129879988
(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene
CID 19816510
(9Z,14Z)-4,12-diazatricyclo[7.6.0.03,7]pentadeca-1,3,5,7,9,11,14-heptaene
CID 19879782
2H-Pyrrolo[3,2-C]pyridine
CID 23294064
8aH-pyrido[3,4-b]indole
CID 57235232
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
CID 59457874
2-(3H-pyrrol-3-yl)-2H-pyrrole
CID 59806944
2-Methyl-4a,8a-dihydro-1,6-naphthyridine
CID 59984552
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine (CID 177129078) is 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine is CC(C)C1=CC2=NC=CC2N=C1.
What is the InChIKey of 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
The InChIKey is WMNKNWBQFAFGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)8-5-10-9(12-6-8)3-4-11-10/h3-7,9H,1-2H3.
What are the key properties of 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine?
6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine has a molecular weight of 160.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 177129078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).