3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine

C16H16N4O — CID 81140893

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(C3CCOc4ccccc43)c2n1
InChIInChI=1S/C16H16N4O/c1-10-6-7-12-15(18-10)20(16(17)19-12)13-8-9-21-14-5-3-2-4-11(13)14/h2-7,13H,8-9H2,1H3,(H2,17,19)
InChIKeyUWTKVZITHXHPBO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds1

About 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine

3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81140893) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81140893
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(C3CCOc4ccccc43)c2n1
InChIInChI=1S/C16H16N4O/c1-10-6-7-12-15(18-10)20(16(17)19-12)13-8-9-21-14-5-3-2-4-11(13)14/h2-7,13H,8-9H2,1H3,(H2,17,19)
InChIKeyUWTKVZITHXHPBO-UHFFFAOYSA-N
XLogP2.69
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79273247
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79279142
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
CID 62366094
6-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274894
1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
CID 62366268
2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
CID 79274371
1-(3,4-dihydro-2H-chromen-4-yl)-4-iodo-3-methylpyrazol-5-amine
CID 55118042
3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79277586
1-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857739
5-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 81136422
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine
CID 62736158

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81140893) is 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(C3CCOc4ccccc43)c2n1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is UWTKVZITHXHPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-6-7-12-15(18-10)20(16(17)19-12)13-8-9-21-14-5-3-2-4-11(13)14/h2-7,13H,8-9H2,1H3,(H2,17,19).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine?
3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81140893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).