8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

C16H16N4O — CID 121379072

IUPAC8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESCn1ncc2ccc(-c3cncc4c3COCC4N)cc21
InChIInChI=1S/C16H16N4O/c1-20-16-4-10(2-3-11(16)5-19-20)12-6-18-7-13-14(12)8-21-9-15(13)17/h2-7,15H,8-9,17H2,1H3
InChIKeyBQBLFQGHLADGBW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds1

About 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (PubChem CID 121379072) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
PubChem CID121379072
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESCn1ncc2ccc(-c3cncc4c3COCC4N)cc21
InChIInChI=1S/C16H16N4O/c1-20-16-4-10(2-3-11(16)5-19-20)12-6-18-7-13-14(12)8-21-9-15(13)17/h2-7,15H,8-9,17H2,1H3
InChIKeyBQBLFQGHLADGBW-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The IUPAC name of 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (CID 121379072) is 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.
What is the SMILES notation for 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The canonical SMILES for 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is Cn1ncc2ccc(-c3cncc4c3COCC4N)cc21.
What is the InChIKey of 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The InChIKey is BQBLFQGHLADGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-16-4-10(2-3-11(16)5-19-20)12-6-18-7-13-14(12)8-21-9-15(13)17/h2-7,15H,8-9,17H2,1H3.
What are the key properties of 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is sourced from PubChem (CID 121379072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).