methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate

C31H26FN3O3 — CID 59411418

IUPACmethyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C31H26FN3O3/c1-31(2,24-10-5-4-6-11-24)33-29(36)23-9-7-8-21(18-23)22-16-17-35-26(19-22)27(30(37)38-3)28(34-35)20-12-14-25(32)15-13-20/h4-19H,1-3H3,(H,33,36)
InChIKeyUYASMJLQZJYMCM-UHFFFAOYSA-N
MW507.57 g/mol
LogP6.26
Rot. Bonds6

About methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 59411418) has the molecular formula C31H26FN3O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID59411418
Molecular FormulaC31H26FN3O3
Molecular Weight507.57 g/mol
Exact Mass507.20
IUPAC Namemethyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12
InChIInChI=1S/C31H26FN3O3/c1-31(2,24-10-5-4-6-11-24)33-29(36)23-9-7-8-21(18-23)22-16-17-35-26(19-22)27(30(37)38-3)28(34-35)20-12-14-25(32)15-13-20/h4-19H,1-3H3,(H,33,36)
InChIKeyUYASMJLQZJYMCM-UHFFFAOYSA-N
XLogP6.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 59411418) is methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UYASMJLQZJYMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O3/c1-31(2,24-10-5-4-6-11-24)33-29(36)23-9-7-8-21(18-23)22-16-17-35-26(19-22)27(30(37)38-3)28(34-35)20-12-14-25(32)15-13-20/h4-19H,1-3H3,(H,33,36).
What are the key properties of methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 507.57 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 59411418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).