(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde

C13H13Cl2N3O — CID 171107161

IUPAC(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde
SMILESCc1c(Cl)nc2c(ncn2[C@H]2CCC(C=O)C2)c1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-7-10(14)11-13(17-12(7)15)18(6-16-11)9-3-2-8(4-9)5-19/h5-6,8-9H,2-4H2,1H3/t8?,9-/m0/s1
InChIKeyIWVPLJFPCXPJQY-GKAPJAKFSA-N
MW298.17 g/mol
LogP3.59
Rot. Bonds2

About (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde

(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde (PubChem CID 171107161) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde
PubChem CID171107161
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde
SMILESCc1c(Cl)nc2c(ncn2[C@H]2CCC(C=O)C2)c1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-7-10(14)11-13(17-12(7)15)18(6-16-11)9-3-2-8(4-9)5-19/h5-6,8-9H,2-4H2,1H3/t8?,9-/m0/s1
InChIKeyIWVPLJFPCXPJQY-GKAPJAKFSA-N
XLogP3.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde 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 (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde?
The IUPAC name of (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde (CID 171107161) is (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde?
The canonical SMILES for (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde is Cc1c(Cl)nc2c(ncn2[C@H]2CCC(C=O)C2)c1Cl.
What is the InChIKey of (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde?
The InChIKey is IWVPLJFPCXPJQY-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7-10(14)11-13(17-12(7)15)18(6-16-11)9-3-2-8(4-9)5-19/h5-6,8-9H,2-4H2,1H3/t8?,9-/m0/s1.
What are the key properties of (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde?
(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde has a molecular weight of 298.17 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 171107161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).