(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'}

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Related Compounds

5,7-dichloro-6-methyl-3-[3-(2-methyltetrazol-5-yl)cyclopentyl]imidazo[4,5-b]pyridine
CID 171107318
(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol
CID 171107204
cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane
CID 162735505
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine
CID 178035519
3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide
CID 162735541
tert-butyl 3-(6-chloro-2-methylpurin-9-yl)piperidine-1-carboxylate
CID 144937286
methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
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
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-chloropurin-2-amine
CID 56679930
9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine
CID 158232421

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).