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

C16H17ClN4 — CID 82151478

IUPAC4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESCC(C)c1nc2cc(Cl)cnc2n1Cc1ccc(N)cc1
InChIInChI=1S/C16H17ClN4/c1-10(2)15-20-14-7-12(17)8-19-16(14)21(15)9-11-3-5-13(18)6-4-11/h3-8,10H,9,18H2,1-2H3
InChIKeyIWNMHTCHDHAUDO-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.84
Rot. Bonds3

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

4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline (PubChem CID 82151478) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
PubChem CID82151478
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESCC(C)c1nc2cc(Cl)cnc2n1Cc1ccc(N)cc1
InChIInChI=1S/C16H17ClN4/c1-10(2)15-20-14-7-12(17)8-19-16(14)21(15)9-11-3-5-13(18)6-4-11/h3-8,10H,9,18H2,1-2H3
InChIKeyIWNMHTCHDHAUDO-UHFFFAOYSA-N
XLogP3.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.84
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-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151480
3-(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanethioamide
CID 82151779
4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 94758729
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
6-chloro-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699389
2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114812
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
6-chloro-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 113475644
6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
CID 113475680
6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The IUPAC name of 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline (CID 82151478) is 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline is CC(C)c1nc2cc(Cl)cnc2n1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The InChIKey is IWNMHTCHDHAUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10(2)15-20-14-7-12(17)8-19-16(14)21(15)9-11-3-5-13(18)6-4-11/h3-8,10H,9,18H2,1-2H3.
What are the key properties of 4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline has a molecular weight of 300.79 g/mol, XLogP of 3.84, 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-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 82151478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).