cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane

C15H20ClN3O2 — CID 162735505

IUPACcis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane
SMILESCC.Cc1cc(Cl)c2ncn([C@H]3CC[C@@H](C(=O)O)C3)c2n1
InChIInChI=1S/C13H14ClN3O2.C2H6/c1-7-4-10(14)11-12(16-7)17(6-15-11)9-3-2-8(5-9)13(18)19;1-2/h4,6,8-9H,2-3,5H2,1H3,(H,18,19);1-2H3/t8-,9+;/m1./s1
InChIKeyZIIAIRWMIGYICL-RJUBDTSPSA-N
MW309.80 g/mol
LogP3.85
Rot. Bonds2

About cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane

cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane (PubChem CID 162735505) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane.

Molecular Properties

Compound Namecis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane
PubChem CID162735505
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Namecis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane
SMILESCC.Cc1cc(Cl)c2ncn([C@H]3CC[C@@H](C(=O)O)C3)c2n1
InChIInChI=1S/C13H14ClN3O2.C2H6/c1-7-4-10(14)11-12(16-7)17(6-15-11)9-3-2-8(5-9)13(18)19;1-2/h4,6,8-9H,2-3,5H2,1H3,(H,18,19);1-2H3/t8-,9+;/m1./s1
InChIKeyZIIAIRWMIGYICL-RJUBDTSPSA-N
XLogP3.85
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane 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 cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane?
The IUPAC name of cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane (CID 162735505) is cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane.
What is the SMILES notation for cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane?
The canonical SMILES for cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane is CC.Cc1cc(Cl)c2ncn([C@H]3CC[C@@H](C(=O)O)C3)c2n1.
What is the InChIKey of cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane?
The InChIKey is ZIIAIRWMIGYICL-RJUBDTSPSA-N. The full InChI is InChI=1S/C13H14ClN3O2.C2H6/c1-7-4-10(14)11-12(16-7)17(6-15-11)9-3-2-8(5-9)13(18)19;1-2/h4,6,8-9H,2-3,5H2,1H3,(H,18,19);1-2H3/t8-,9+;/m1./s1.
What are the key properties of cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane?
cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane has a molecular weight of 309.80 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane is sourced from PubChem (CID 162735505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).