3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine

C14H14ClN5O — CID 174278002

IUPAC3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILESCC(C)Oc1ccc2nc(-c3cccnc3N)n(Cl)c2n1
InChIInChI=1S/C14H14ClN5O/c1-8(2)21-11-6-5-10-14(19-11)20(15)13(18-10)9-4-3-7-17-12(9)16/h3-8H,1-2H3,(H2,16,17)
InChIKeyIIGHRZUVFMEPQL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.86
Rot. Bonds3

About 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine

3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (PubChem CID 174278002) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
PubChem CID174278002
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILESCC(C)Oc1ccc2nc(-c3cccnc3N)n(Cl)c2n1
InChIInChI=1S/C14H14ClN5O/c1-8(2)21-11-6-5-10-14(19-11)20(15)13(18-10)9-4-3-7-17-12(9)16/h3-8H,1-2H3,(H2,16,17)
InChIKeyIIGHRZUVFMEPQL-UHFFFAOYSA-N
XLogP2.86
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The IUPAC name of 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (CID 174278002) is 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine is CC(C)Oc1ccc2nc(-c3cccnc3N)n(Cl)c2n1.
What is the InChIKey of 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The InChIKey is IIGHRZUVFMEPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-8(2)21-11-6-5-10-14(19-11)20(15)13(18-10)9-4-3-7-17-12(9)16/h3-8H,1-2H3,(H2,16,17).
What are the key properties of 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine?
3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine has a molecular weight of 303.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine is sourced from PubChem (CID 174278002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).