3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

C17H17ClN4O — CID 82151857

IUPAC3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESNc1cccc(OCCn2c(C3CC3)nc3cc(Cl)cnc32)c1
InChIInChI=1S/C17H17ClN4O/c18-12-8-15-17(20-10-12)22(16(21-15)11-4-5-11)6-7-23-14-3-1-2-13(19)9-14/h1-3,8-11H,4-7,19H2
InChIKeySJXSTALJRZUGHU-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.62
Rot. Bonds5

About 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline

3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (PubChem CID 82151857) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
PubChem CID82151857
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
SMILESNc1cccc(OCCn2c(C3CC3)nc3cc(Cl)cnc32)c1
InChIInChI=1S/C17H17ClN4O/c18-12-8-15-17(20-10-12)22(16(21-15)11-4-5-11)6-7-23-14-3-1-2-13(19)9-14/h1-3,8-11H,4-7,19H2
InChIKeySJXSTALJRZUGHU-UHFFFAOYSA-N
XLogP3.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline (CID 82151857) is 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is Nc1cccc(OCCn2c(C3CC3)nc3cc(Cl)cnc32)c1.
What is the InChIKey of 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
The InChIKey is SJXSTALJRZUGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-12-8-15-17(20-10-12)22(16(21-15)11-4-5-11)6-7-23-14-3-1-2-13(19)9-14/h1-3,8-11H,4-7,19H2.
What are the key properties of 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline?
3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline has a molecular weight of 328.80 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline is sourced from PubChem (CID 82151857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).