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

C18H17N3O2 — CID 121389325

IUPAC8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESCn1ncc2ccc(-c3cncc4c3COC3(CC3)C4O)cc21
InChIInChI=1S/C18H17N3O2/c1-21-16-6-11(2-3-12(16)7-20-21)13-8-19-9-14-15(13)10-23-18(4-5-18)17(14)22/h2-3,6-9,17,22H,4-5,10H2,1H3
InChIKeyBLUXNCBQIAYMKH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.73
Rot. Bonds1

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

8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (PubChem CID 121389325) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.

Molecular Properties

Compound Name8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
PubChem CID121389325
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESCn1ncc2ccc(-c3cncc4c3COC3(CC3)C4O)cc21
InChIInChI=1S/C18H17N3O2/c1-21-16-6-11(2-3-12(16)7-20-21)13-8-19-9-14-15(13)10-23-18(4-5-18)17(14)22/h2-3,6-9,17,22H,4-5,10H2,1H3
InChIKeyBLUXNCBQIAYMKH-UHFFFAOYSA-N
XLogP2.73
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.73
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)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The IUPAC name of 8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (CID 121389325) is 8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.
What is the SMILES notation for 8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The canonical SMILES for 8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is Cn1ncc2ccc(-c3cncc4c3COC3(CC3)C4O)cc21.
What is the InChIKey of 8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The InChIKey is BLUXNCBQIAYMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-16-6-11(2-3-12(16)7-20-21)13-8-19-9-14-15(13)10-23-18(4-5-18)17(14)22/h2-3,6-9,17,22H,4-5,10H2,1H3.
What are the key properties of 8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
8-(1-methylindazol-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol has a molecular weight of 307.35 g/mol, XLogP of 2.73, 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)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is sourced from PubChem (CID 121389325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).