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

C27H20FN3O3 — CID 10297820

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C27H20FN3O3/c1-33-24-5-3-2-4-22(24)27(32)34-17-18-12-15-31-23(16-18)25(19-10-13-29-14-11-19)26(30-31)20-6-8-21(28)9-7-20/h2-16H,17H2,1H3
InChIKeyXBEYQUUQSCXOOX-UHFFFAOYSA-N
MW453.47 g/mol
LogP5.57
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate (PubChem CID 10297820) has the molecular formula C27H20FN3O3 and a molecular weight of 453.47 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate
PubChem CID10297820
Molecular FormulaC27H20FN3O3
Molecular Weight453.47 g/mol
Exact Mass453.15
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C27H20FN3O3/c1-33-24-5-3-2-4-22(24)27(32)34-17-18-12-15-31-23(16-18)25(19-10-13-29-14-11-19)26(30-31)20-6-8-21(28)9-7-20/h2-16H,17H2,1H3
InChIKeyXBEYQUUQSCXOOX-UHFFFAOYSA-N
XLogP5.57
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate (CID 10297820) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate is COc1ccccc1C(=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-methoxybenzoate?
The InChIKey is XBEYQUUQSCXOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O3/c1-33-24-5-3-2-4-22(24)27(32)34-17-18-12-15-31-23(16-18)25(19-10-13-29-14-11-19)26(30-31)20-6-8-21(28)9-7-20/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-methoxybenzoate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 2-methoxybenzoate has a molecular weight of 453.47 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-methoxybenzoate is sourced from PubChem (CID 10297820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).