methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C19H16FN5O2 — CID 146501262

IUPACmethyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2F)cn2ncnc12
InChIInChI=1S/C19H16FN5O2/c1-24-10-15(8-22-24)13-3-4-14(17(20)7-13)5-12-6-16(19(26)27-2)18-21-11-23-25(18)9-12/h3-4,6-11H,5H2,1-2H3
InChIKeyMWTHGPVKRCQSRF-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.65
Rot. Bonds4

About methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 146501262) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID146501262
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Namemethyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2F)cn2ncnc12
InChIInChI=1S/C19H16FN5O2/c1-24-10-15(8-22-24)13-3-4-14(17(20)7-13)5-12-6-16(19(26)27-2)18-21-11-23-25(18)9-12/h3-4,6-11H,5H2,1-2H3
InChIKeyMWTHGPVKRCQSRF-UHFFFAOYSA-N
XLogP2.65
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 146501262) is methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2F)cn2ncnc12.
What is the InChIKey of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is MWTHGPVKRCQSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-24-10-15(8-22-24)13-3-4-14(17(20)7-13)5-12-6-16(19(26)27-2)18-21-11-23-25(18)9-12/h3-4,6-11H,5H2,1-2H3.
What are the key properties of methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 365.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 146501262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).