8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol

C18H16FN3O2 — CID 121389412

IUPAC8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESCn1ncc2c(F)cc(-c3cncc4c3COC3(CC3)C4O)cc21
InChIInChI=1S/C18H16FN3O2/c1-22-16-5-10(4-15(19)13(16)8-21-22)11-6-20-7-12-14(11)9-24-18(2-3-18)17(12)23/h4-8,17,23H,2-3,9H2,1H3
InChIKeyUVWKQLSKVHKRRK-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.87
Rot. Bonds1

About 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol

8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (PubChem CID 121389412) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.

Molecular Properties

Compound Name8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
PubChem CID121389412
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESCn1ncc2c(F)cc(-c3cncc4c3COC3(CC3)C4O)cc21
InChIInChI=1S/C18H16FN3O2/c1-22-16-5-10(4-15(19)13(16)8-21-22)11-6-20-7-12-14(11)9-24-18(2-3-18)17(12)23/h4-8,17,23H,2-3,9H2,1H3
InChIKeyUVWKQLSKVHKRRK-UHFFFAOYSA-N
XLogP2.87
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.87
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)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The IUPAC name of 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (CID 121389412) is 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.
What is the SMILES notation for 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The canonical SMILES for 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is Cn1ncc2c(F)cc(-c3cncc4c3COC3(CC3)C4O)cc21.
What is the InChIKey of 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The InChIKey is UVWKQLSKVHKRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-22-16-5-10(4-15(19)13(16)8-21-22)11-6-20-7-12-14(11)9-24-18(2-3-18)17(12)23/h4-8,17,23H,2-3,9H2,1H3.
What are the key properties of 8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
8-(4-fluoro-1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol has a molecular weight of 325.34 g/mol, XLogP of 2.87, 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)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is sourced from PubChem (CID 121389412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).