(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol

C18H26Cl2N4O2 — CID 171107204

IUPAC(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol
SMILESCC.CC(C)(O)O.Cc1c(Cl)nc2c(ncn2[C@H]2CCC(C#N)C2)c1Cl
InChIInChI=1S/C13H12Cl2N4.C3H8O2.C2H6/c1-7-10(14)11-13(18-12(7)15)19(6-17-11)9-3-2-8(4-9)5-16;1-3(2,4)5;1-2/h6,8-9H,2-4H2,1H3;4-5H,1-2H3;1-2H3/t8?,9-;;/m0../s1
InChIKeyRVZJTLMCGIOIHA-AHBBCRTASA-N
MW401.34 g/mol
LogP4.64
Rot. Bonds1

About (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol

(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol (PubChem CID 171107204) has the molecular formula C18H26Cl2N4O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol.

Molecular Properties

Compound Name(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol
PubChem CID171107204
Molecular FormulaC18H26Cl2N4O2
Molecular Weight401.34 g/mol
Exact Mass400.14
IUPAC Name(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol
SMILESCC.CC(C)(O)O.Cc1c(Cl)nc2c(ncn2[C@H]2CCC(C#N)C2)c1Cl
InChIInChI=1S/C13H12Cl2N4.C3H8O2.C2H6/c1-7-10(14)11-13(18-12(7)15)19(6-17-11)9-3-2-8(4-9)5-16;1-3(2,4)5;1-2/h6,8-9H,2-4H2,1H3;4-5H,1-2H3;1-2H3/t8?,9-;;/m0../s1
InChIKeyRVZJTLMCGIOIHA-AHBBCRTASA-N
XLogP4.64
TPSA94.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol 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-carbonitrile;ethane;propane-2,2-diol?
The IUPAC name of (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol (CID 171107204) is (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol.
What is the SMILES notation for (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol?
The canonical SMILES for (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol is CC.CC(C)(O)O.Cc1c(Cl)nc2c(ncn2[C@H]2CCC(C#N)C2)c1Cl.
What is the InChIKey of (3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol?
The InChIKey is RVZJTLMCGIOIHA-AHBBCRTASA-N. The full InChI is InChI=1S/C13H12Cl2N4.C3H8O2.C2H6/c1-7-10(14)11-13(18-12(7)15)19(6-17-11)9-3-2-8(4-9)5-16;1-3(2,4)5;1-2/h6,8-9H,2-4H2,1H3;4-5H,1-2H3;1-2H3/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-carbonitrile;ethane;propane-2,2-diol?
(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbonitrile;ethane;propane-2,2-diol has a molecular weight of 401.34 g/mol, XLogP of 4.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 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-carbonitrile;ethane;propane-2,2-diol is sourced from PubChem (CID 171107204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).