6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

C17H17FN4O — CID 164989776

IUPAC6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3cnc(OC4(C)CCC4)c(F)c3)cn12
InChIInChI=1S/C17H17FN4O/c1-11-20-21-15-5-4-12(10-22(11)15)13-8-14(18)16(19-9-13)23-17(2)6-3-7-17/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyUNHKWTFPYZRLTE-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.56
Rot. Bonds3

About 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 164989776) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID164989776
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3cnc(OC4(C)CCC4)c(F)c3)cn12
InChIInChI=1S/C17H17FN4O/c1-11-20-21-15-5-4-12(10-22(11)15)13-8-14(18)16(19-9-13)23-17(2)6-3-7-17/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyUNHKWTFPYZRLTE-UHFFFAOYSA-N
XLogP3.56
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)
CID 165044573
3-(difluoromethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 155338323
3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclopropyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 162614041
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 153370824
6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 167615181
6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 153370764
3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 159052297
3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 153370720
6-[2-(2,4-difluorophenoxy)-5-nitrophenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 155669855
6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 153370757
1-(4-chlorophenyl)-5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-9-azatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene
CID 56848109
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

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 164989776) is 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2ccc(-c3cnc(OC4(C)CCC4)c(F)c3)cn12.
What is the InChIKey of 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UNHKWTFPYZRLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-20-21-15-5-4-12(10-22(11)15)13-8-14(18)16(19-9-13)23-17(2)6-3-7-17/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 312.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(1-methylcyclobutyl)oxy-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 164989776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).