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

C16H15ClN4 — CID 82151480

IUPAC4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESNc1ccc(Cn2c(C3CC3)nc3cc(Cl)cnc32)cc1
InChIInChI=1S/C16H15ClN4/c17-12-7-14-16(19-8-12)21(15(20-14)11-3-4-11)9-10-1-5-13(18)6-2-10/h1-2,5-8,11H,3-4,9,18H2
InChIKeyDDXZAGBRFVEJSD-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.59
Rot. Bonds3

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

4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline (PubChem CID 82151480) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
PubChem CID82151480
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESNc1ccc(Cn2c(C3CC3)nc3cc(Cl)cnc32)cc1
InChIInChI=1S/C16H15ClN4/c17-12-7-14-16(19-8-12)21(15(20-14)11-3-4-11)9-10-1-5-13(18)6-2-10/h1-2,5-8,11H,3-4,9,18H2
InChIKeyDDXZAGBRFVEJSD-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151478
3-[2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 82151857
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
6-amino-3-[(4-chlorophenyl)methyl]-2-cyclopropylquinazolin-4-one
CID 1456616
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 82143713
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061717
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
CID 94758676
4-[(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]aniline
CID 94756816
3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93209976
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The IUPAC name of 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline (CID 82151480) is 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline is Nc1ccc(Cn2c(C3CC3)nc3cc(Cl)cnc32)cc1.
What is the InChIKey of 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The InChIKey is DDXZAGBRFVEJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-12-7-14-16(19-8-12)21(15(20-14)11-3-4-11)9-10-1-5-13(18)6-2-10/h1-2,5-8,11H,3-4,9,18H2.
What are the key properties of 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline has a molecular weight of 298.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 82151480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).