methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate

C23H24FN3O3 — CID 59233680

IUPACmethyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(NC(=O)C(C)(C)C)c(C3CC3)cc12
InChIInChI=1S/C23H24FN3O3/c1-23(2,3)22(29)25-17-12-27-18(11-16(17)13-5-6-13)19(21(28)30-4)20(26-27)14-7-9-15(24)10-8-14/h7-13H,5-6H2,1-4H3,(H,25,29)
InChIKeyQIJWTVVQEBFBJH-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.79
Rot. Bonds4

About methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 59233680) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID59233680
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Namemethyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(NC(=O)C(C)(C)C)c(C3CC3)cc12
InChIInChI=1S/C23H24FN3O3/c1-23(2,3)22(29)25-17-12-27-18(11-16(17)13-5-6-13)19(21(28)30-4)20(26-27)14-7-9-15(24)10-8-14/h7-13H,5-6H2,1-4H3,(H,25,29)
InChIKeyQIJWTVVQEBFBJH-UHFFFAOYSA-N
XLogP4.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 59233680) is methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)nn2cc(NC(=O)C(C)(C)C)c(C3CC3)cc12.
What is the InChIKey of methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is QIJWTVVQEBFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-23(2,3)22(29)25-17-12-27-18(11-16(17)13-5-6-13)19(21(28)30-4)20(26-27)14-7-9-15(24)10-8-14/h7-13H,5-6H2,1-4H3,(H,25,29).
What are the key properties of methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 409.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-6-(2,2-dimethylpropanoylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 59233680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).