methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate

C22H18FN3O2 — CID 159676255

IUPACmethyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3F)nn3cc(C)ccc23)n1
InChIInChI=1S/C22H18FN3O2/c1-14-10-11-20-17(12-15-6-5-9-19(24-15)22(27)28-2)21(25-26(20)13-14)16-7-3-4-8-18(16)23/h3-11,13H,12H2,1-2H3
InChIKeySGLYJXWOIYSHQK-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.22
Rot. Bonds4

About methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate

methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate (PubChem CID 159676255) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
PubChem CID159676255
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Namemethyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3F)nn3cc(C)ccc23)n1
InChIInChI=1S/C22H18FN3O2/c1-14-10-11-20-17(12-15-6-5-9-19(24-15)22(27)28-2)21(25-26(20)13-14)16-7-3-4-8-18(16)23/h3-11,13H,12H2,1-2H3
InChIKeySGLYJXWOIYSHQK-UHFFFAOYSA-N
XLogP4.22
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 158313941
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899
methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 86704895
6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123165587
6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159391759
methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate
CID 158770822
methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 158566765
methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate
CID 144559796
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate (CID 159676255) is methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3ccccc3F)nn3cc(C)ccc23)n1.
What is the InChIKey of methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The InChIKey is SGLYJXWOIYSHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-10-11-20-17(12-15-6-5-9-19(24-15)22(27)28-2)21(25-26(20)13-14)16-7-3-4-8-18(16)23/h3-11,13H,12H2,1-2H3.
What are the key properties of methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 159676255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).