3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide

C13H16ClN5O — CID 162735541

IUPAC3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCC(n2cnc3c(N)cc(Cl)nc32)C1
InChIInChI=1S/C13H16ClN5O/c1-16-13(20)7-2-3-8(4-7)19-6-17-11-9(15)5-10(14)18-12(11)19/h5-8H,2-4H2,1H3,(H2,15,18)(H,16,20)
InChIKeySVYSMJJHHGJDNE-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.75
Rot. Bonds2

About 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide

3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide (PubChem CID 162735541) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide
PubChem CID162735541
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCC(n2cnc3c(N)cc(Cl)nc32)C1
InChIInChI=1S/C13H16ClN5O/c1-16-13(20)7-2-3-8(4-7)19-6-17-11-9(15)5-10(14)18-12(11)19/h5-8H,2-4H2,1H3,(H2,15,18)(H,16,20)
InChIKeySVYSMJJHHGJDNE-UHFFFAOYSA-N
XLogP1.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide 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

cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane
CID 162735505
5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol
CID 162735522
ethane;ethyl 3-[5-chloro-7-(2,2-difluoroethylamino)imidazo[4,5-b]pyridin-3-yl]cyclopentane-1-carboximidate
CID 171107066
2-[(1R,2S,3R,4R,5S)-4-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]ethylphosphonic acid
CID 46871831
3-(5-chloro-8-methyl-6-oxo-8,9-dihydro-7H-imidazo[4,5-h][1,6]naphthyridin-3-yl)cyclopentane-1-carboxylic acid;propane-2,2-diol
CID 171107142
4-(6-amino-2-ethynylpurin-9-yl)cyclohexane-1-carboxylic acid
CID 134214774
(1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide
CID 171106981
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
4-(6-amino-2-chloropurin-9-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 134208792
4-(6-amino-2-chloropurin-9-yl)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 134214786
(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde
CID 171107161

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide (CID 162735541) is 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCC(n2cnc3c(N)cc(Cl)nc32)C1.
What is the InChIKey of 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is SVYSMJJHHGJDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-16-13(20)7-2-3-8(4-7)19-6-17-11-9(15)5-10(14)18-12(11)19/h5-8H,2-4H2,1H3,(H2,15,18)(H,16,20).
What are the key properties of 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide?
3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 162735541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).