5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine

C16H16N4O — CID 136570479

IUPAC5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine
SMILESCn1ncc2ncc(-c3cccc4c3CC(N)CO4)cc21
InChIInChI=1S/C16H16N4O/c1-20-15-5-10(7-18-14(15)8-19-20)12-3-2-4-16-13(12)6-11(17)9-21-16/h2-5,7-8,11H,6,9,17H2,1H3
InChIKeyOQOMGGBAEPOVAM-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.90
Rot. Bonds1

About 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine

5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 136570479) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID136570479
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine
SMILESCn1ncc2ncc(-c3cccc4c3CC(N)CO4)cc21
InChIInChI=1S/C16H16N4O/c1-20-15-5-10(7-18-14(15)8-19-20)12-3-2-4-16-13(12)6-11(17)9-21-16/h2-5,7-8,11H,6,9,17H2,1H3
InChIKeyOQOMGGBAEPOVAM-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine (CID 136570479) is 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine is Cn1ncc2ncc(-c3cccc4c3CC(N)CO4)cc21.
What is the InChIKey of 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is OQOMGGBAEPOVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-15-5-10(7-18-14(15)8-19-20)12-3-2-4-16-13(12)6-11(17)9-21-16/h2-5,7-8,11H,6,9,17H2,1H3.
What are the key properties of 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine?
5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 280.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 136570479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).