2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide

C21H19FN6O3 — CID 59278121

IUPAC2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(N)=O)c(C)o1
InChIInChI=1S/C21H19FN6O3/c1-3-16(21-27-18(19(23)29)11(2)31-21)26-20(30)15-8-24-10-17-14(15)9-25-28(17)13-6-4-12(22)5-7-13/h4-10,16H,3H2,1-2H3,(H2,23,29)(H,26,30)
InChIKeyFJBOVFMNJDUPPF-UHFFFAOYSA-N
MW422.42 g/mol
LogP2.84
Rot. Bonds6

About 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide

2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 59278121) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID59278121
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(N)=O)c(C)o1
InChIInChI=1S/C21H19FN6O3/c1-3-16(21-27-18(19(23)29)11(2)31-21)26-20(30)15-8-24-10-17-14(15)9-25-28(17)13-6-4-12(22)5-7-13/h4-10,16H,3H2,1-2H3,(H2,23,29)(H,26,30)
InChIKeyFJBOVFMNJDUPPF-UHFFFAOYSA-N
XLogP2.84
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 59278121) is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(N)=O)c(C)o1.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FJBOVFMNJDUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O3/c1-3-16(21-27-18(19(23)29)11(2)31-21)26-20(30)15-8-24-10-17-14(15)9-25-28(17)13-6-4-12(22)5-7-13/h4-10,16H,3H2,1-2H3,(H2,23,29)(H,26,30).
What are the key properties of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59278121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).