8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol

C17H16FN3O2 — CID 121389420

IUPAC8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol
SMILESCn1ncc2c(F)cc(-c3cncc4c3COCC4(C)O)cc21
InChIInChI=1S/C17H16FN3O2/c1-17(22)9-23-8-13-11(5-19-7-14(13)17)10-3-15(18)12-6-20-21(2)16(12)4-10/h3-7,22H,8-9H2,1-2H3
InChIKeyXPTJKQMSAQURPA-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.51
Rot. Bonds1

About 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol

8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol (PubChem CID 121389420) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol
PubChem CID121389420
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol
SMILESCn1ncc2c(F)cc(-c3cncc4c3COCC4(C)O)cc21
InChIInChI=1S/C17H16FN3O2/c1-17(22)9-23-8-13-11(5-19-7-14(13)17)10-3-15(18)12-6-20-21(2)16(12)4-10/h3-7,22H,8-9H2,1-2H3
InChIKeyXPTJKQMSAQURPA-UHFFFAOYSA-N
XLogP2.51
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol (CID 121389420) is 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol is Cn1ncc2c(F)cc(-c3cncc4c3COCC4(C)O)cc21.
What is the InChIKey of 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol?
The InChIKey is XPTJKQMSAQURPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-17(22)9-23-8-13-11(5-19-7-14(13)17)10-3-15(18)12-6-20-21(2)16(12)4-10/h3-7,22H,8-9H2,1-2H3.
What are the key properties of 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol?
8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol has a molecular weight of 313.33 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-1-methylindazol-6-yl)-4-methyl-1,3-dihydropyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).