6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile

C18H16N4O2 — CID 121379100

IUPAC6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile
SMILESCn1ncc2c(C#N)cc(-c3cncc4c3COCC4(C)O)cc21
InChIInChI=1S/C18H16N4O2/c1-18(23)10-24-9-15-13(6-20-8-16(15)18)11-3-12(5-19)14-7-21-22(2)17(14)4-11/h3-4,6-8,23H,9-10H2,1-2H3
InChIKeyUETSHSNMSAJCND-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.24
Rot. Bonds1

About 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile

6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile (PubChem CID 121379100) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile.

Molecular Properties

Compound Name6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile
PubChem CID121379100
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile
SMILESCn1ncc2c(C#N)cc(-c3cncc4c3COCC4(C)O)cc21
InChIInChI=1S/C18H16N4O2/c1-18(23)10-24-9-15-13(6-20-8-16(15)18)11-3-12(5-19)14-7-21-22(2)17(14)4-11/h3-4,6-8,23H,9-10H2,1-2H3
InChIKeyUETSHSNMSAJCND-UHFFFAOYSA-N
XLogP2.24
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile?
The IUPAC name of 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile (CID 121379100) is 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile.
What is the SMILES notation for 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile?
The canonical SMILES for 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile is Cn1ncc2c(C#N)cc(-c3cncc4c3COCC4(C)O)cc21.
What is the InChIKey of 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile?
The InChIKey is UETSHSNMSAJCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-18(23)10-24-9-15-13(6-20-8-16(15)18)11-3-12(5-19)14-7-21-22(2)17(14)4-11/h3-4,6-8,23H,9-10H2,1-2H3.
What are the key properties of 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile?
6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile has a molecular weight of 320.35 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-8-yl)-1-methylindazole-4-carbonitrile is sourced from PubChem (CID 121379100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).