2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol

C17H16Cl2N4O — CID 90681921

IUPAC2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc2ccc(C3CC3)nc2n1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N4O/c18-10-3-4-11(12(19)7-10)15(24)8-23-16-14(22-17(23)20)6-5-13(21-16)9-1-2-9/h3-7,9,15,24H,1-2,8H2,(H2,20,22)
InChIKeyPKGDBLHVLCHZME-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.93
Rot. Bonds4

About 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol

2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 90681921) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID90681921
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc2ccc(C3CC3)nc2n1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N4O/c18-10-3-4-11(12(19)7-10)15(24)8-23-16-14(22-17(23)20)6-5-13(21-16)9-1-2-9/h3-7,9,15,24H,1-2,8H2,(H2,20,22)
InChIKeyPKGDBLHVLCHZME-UHFFFAOYSA-N
XLogP3.93
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol (CID 90681921) is 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol is Nc1nc2ccc(C3CC3)nc2n1CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is PKGDBLHVLCHZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c18-10-3-4-11(12(19)7-10)15(24)8-23-16-14(22-17(23)20)6-5-13(21-16)9-1-2-9/h3-7,9,15,24H,1-2,8H2,(H2,20,22).
What are the key properties of 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 363.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 90681921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).