8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

C16H16N4O — CID 130422361

IUPAC8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccc(-c3cncc4c3COCC4N)cc12
InChIInChI=1S/C16H16N4O/c1-9-11-4-10(2-3-16(11)20-19-9)12-5-18-6-13-14(12)7-21-8-15(13)17/h2-6,15H,7-8,17H2,1H3,(H,19,20)
InChIKeyDUWFGMHJCMRVGQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds1

About 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (PubChem CID 130422361) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
PubChem CID130422361
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccc(-c3cncc4c3COCC4N)cc12
InChIInChI=1S/C16H16N4O/c1-9-11-4-10(2-3-16(11)20-19-9)12-5-18-6-13-14(12)7-21-8-15(13)17/h2-6,15H,7-8,17H2,1H3,(H,19,20)
InChIKeyDUWFGMHJCMRVGQ-UHFFFAOYSA-N
XLogP2.46
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The IUPAC name of 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (CID 130422361) is 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.
What is the SMILES notation for 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The canonical SMILES for 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is Cc1[nH]nc2ccc(-c3cncc4c3COCC4N)cc12.
What is the InChIKey of 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The InChIKey is DUWFGMHJCMRVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-9-11-4-10(2-3-16(11)20-19-9)12-5-18-6-13-14(12)7-21-8-15(13)17/h2-6,15H,7-8,17H2,1H3,(H,19,20).
What are the key properties of 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is sourced from PubChem (CID 130422361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).