5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol

C16H25Cl2N3O2 — CID 162735522

IUPAC5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol
SMILESCC.CC(C)(O)O.Clc1cc(Cl)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C11H11Cl2N3.C3H8O2.C2H6/c12-8-5-9(13)15-11-10(8)14-6-16(11)7-3-1-2-4-7;1-3(2,4)5;1-2/h5-7H,1-4H2;4-5H,1-2H3;1-2H3
InChIKeyDJZHHLBASOXTFP-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.59
Rot. Bonds1

About 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol

5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol (PubChem CID 162735522) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol.

Molecular Properties

Compound Name5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol
PubChem CID162735522
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC Name5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol
SMILESCC.CC(C)(O)O.Clc1cc(Cl)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C11H11Cl2N3.C3H8O2.C2H6/c12-8-5-9(13)15-11-10(8)14-6-16(11)7-3-1-2-4-7;1-3(2,4)5;1-2/h5-7H,1-4H2;4-5H,1-2H3;1-2H3
InChIKeyDJZHHLBASOXTFP-UHFFFAOYSA-N
XLogP4.59
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol?
The IUPAC name of 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol (CID 162735522) is 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol.
What is the SMILES notation for 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol?
The canonical SMILES for 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol is CC.CC(C)(O)O.Clc1cc(Cl)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol?
The InChIKey is DJZHHLBASOXTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3.C3H8O2.C2H6/c12-8-5-9(13)15-11-10(8)14-6-16(11)7-3-1-2-4-7;1-3(2,4)5;1-2/h5-7H,1-4H2;4-5H,1-2H3;1-2H3.
What are the key properties of 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol?
5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol has a molecular weight of 362.30 g/mol, XLogP of 4.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-cyclopentylimidazo[4,5-b]pyridine;ethane;propane-2,2-diol is sourced from PubChem (CID 162735522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).