8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol

C17H16N4O2 — CID 121389413

IUPAC8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESCc1nnc2ccc(-c3cncc4c3COC3(CC3)C4O)cn12
InChIInChI=1S/C17H16N4O2/c1-10-19-20-15-3-2-11(8-21(10)15)12-6-18-7-13-14(12)9-23-17(4-5-17)16(13)22/h2-3,6-8,16,22H,4-5,9H2,1H3
InChIKeyASYXLRDNWXONAF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds1

About 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol

8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (PubChem CID 121389413) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.

Molecular Properties

Compound Name8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
PubChem CID121389413
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol
SMILESCc1nnc2ccc(-c3cncc4c3COC3(CC3)C4O)cn12
InChIInChI=1S/C17H16N4O2/c1-10-19-20-15-3-2-11(8-21(10)15)12-6-18-7-13-14(12)9-23-17(4-5-17)16(13)22/h2-3,6-8,16,22H,4-5,9H2,1H3
InChIKeyASYXLRDNWXONAF-UHFFFAOYSA-N
XLogP2.20
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The IUPAC name of 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol (CID 121389413) is 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol.
What is the SMILES notation for 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The canonical SMILES for 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is Cc1nnc2ccc(-c3cncc4c3COC3(CC3)C4O)cn12.
What is the InChIKey of 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
The InChIKey is ASYXLRDNWXONAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-19-20-15-3-2-11(8-21(10)15)12-6-18-7-13-14(12)9-23-17(4-5-17)16(13)22/h2-3,6-8,16,22H,4-5,9H2,1H3.
What are the key properties of 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol?
8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol has a molecular weight of 308.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)spiro[1,4-dihydropyrano[4,3-c]pyridine-3,1'-cyclopropane]-4-ol is sourced from PubChem (CID 121389413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).