[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate

C27H20FN3O2 — CID 10181552

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C27H20FN3O2/c1-18-4-2-3-5-23(18)27(32)33-17-19-12-15-31-24(16-19)25(20-10-13-29-14-11-20)26(30-31)21-6-8-22(28)9-7-21/h2-16H,17H2,1H3
InChIKeyVQNRTWXXZGYZOX-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.87
Rot. Bonds5

About [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate (PubChem CID 10181552) has the molecular formula C27H20FN3O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate
PubChem CID10181552
Molecular FormulaC27H20FN3O2
Molecular Weight437.47 g/mol
Exact Mass437.15
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C27H20FN3O2/c1-18-4-2-3-5-23(18)27(32)33-17-19-12-15-31-24(16-19)25(20-10-13-29-14-11-20)26(30-31)21-6-8-22(28)9-7-21/h2-16H,17H2,1H3
InChIKeyVQNRTWXXZGYZOX-UHFFFAOYSA-N
XLogP5.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CID 11508699
Ethyl 4-[1-[(2-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 23120782
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
6-[(6-Cyclopropyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704858
2-fluoro-4-[5-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]benzonitrile
CID 91810383
Methyl 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-4-carboxylate
CID 118496557

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate (CID 10181552) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate is Cc1ccccc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate?
The InChIKey is VQNRTWXXZGYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O2/c1-18-4-2-3-5-23(18)27(32)33-17-19-12-15-31-24(16-19)25(20-10-13-29-14-11-20)26(30-31)21-6-8-22(28)9-7-21/h2-16H,17H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate has a molecular weight of 437.47 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methylbenzoate is sourced from PubChem (CID 10181552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).