4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline

C16H16N4 — CID 104698547

IUPAC4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3cccnc3n2C2CC2)cc1
InChIInChI=1S/C16H16N4/c1-17-12-6-4-11(5-7-12)15-19-14-3-2-10-18-16(14)20(15)13-8-9-13/h2-7,10,13,17H,8-9H2,1H3
InChIKeyMOSIXIPSCCVOHE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.47
Rot. Bonds3

About 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline

4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline (PubChem CID 104698547) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
PubChem CID104698547
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3cccnc3n2C2CC2)cc1
InChIInChI=1S/C16H16N4/c1-17-12-6-4-11(5-7-12)15-19-14-3-2-10-18-16(14)20(15)13-8-9-13/h2-7,10,13,17H,8-9H2,1H3
InChIKeyMOSIXIPSCCVOHE-UHFFFAOYSA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
CID 79397759
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-N-methylaniline
CID 104698544
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-fluorophenol
CID 136789732
3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164679
2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
CID 118723086
3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine
CID 118723490
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
N-(1,3-benzodioxol-5-yl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286699
3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
CID 46286859
2-bromo-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
CID 58103199

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline?
The IUPAC name of 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline (CID 104698547) is 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline?
The canonical SMILES for 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline is CNc1ccc(-c2nc3cccnc3n2C2CC2)cc1.
What is the InChIKey of 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline?
The InChIKey is MOSIXIPSCCVOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-17-12-6-4-11(5-7-12)15-19-14-3-2-10-18-16(14)20(15)13-8-9-13/h2-7,10,13,17H,8-9H2,1H3.
What are the key properties of 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline?
4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline has a molecular weight of 264.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline is sourced from PubChem (CID 104698547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).