2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile

C14H16BrN3O — CID 150878974

IUPAC2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESCOC1NC=C(C#N)c2c1cc(Br)n2C1CCCC1
InChIInChI=1S/C14H16BrN3O/c1-19-14-11-6-12(15)18(10-4-2-3-5-10)13(11)9(7-16)8-17-14/h6,8,10,14,17H,2-5H2,1H3
InChIKeyKVPHOJAOBIQIBB-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.48
Rot. Bonds2

About 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile

2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile (PubChem CID 150878974) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile
PubChem CID150878974
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile
SMILESCOC1NC=C(C#N)c2c1cc(Br)n2C1CCCC1
InChIInChI=1S/C14H16BrN3O/c1-19-14-11-6-12(15)18(10-4-2-3-5-10)13(11)9(7-16)8-17-14/h6,8,10,14,17H,2-5H2,1H3
InChIKeyKVPHOJAOBIQIBB-UHFFFAOYSA-N
XLogP3.48
TPSA49.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile 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 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile (CID 150878974) is 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile is COC1NC=C(C#N)c2c1cc(Br)n2C1CCCC1.
What is the InChIKey of 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile?
The InChIKey is KVPHOJAOBIQIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-19-14-11-6-12(15)18(10-4-2-3-5-10)13(11)9(7-16)8-17-14/h6,8,10,14,17H,2-5H2,1H3.
What are the key properties of 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile?
2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile has a molecular weight of 322.21 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 150878974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).