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

C20H16FN5O4 — CID 59278479

IUPAC2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)O)co1
InChIInChI=1S/C20H16FN5O4/c1-2-15(19-25-16(10-30-19)20(28)29)24-18(27)14-7-22-9-17-13(14)8-23-26(17)12-5-3-11(21)4-6-12/h3-10,15H,2H2,1H3,(H,24,27)(H,28,29)
InChIKeyXFPQUVBYUYDWAV-UHFFFAOYSA-N
MW409.38 g/mol
LogP3.13
Rot. Bonds6

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

2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 59278479) has the molecular formula C20H16FN5O4 and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid
PubChem CID59278479
Molecular FormulaC20H16FN5O4
Molecular Weight409.38 g/mol
Exact Mass409.12
IUPAC Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)O)co1
InChIInChI=1S/C20H16FN5O4/c1-2-15(19-25-16(10-30-19)20(28)29)24-18(27)14-7-22-9-17-13(14)8-23-26(17)12-5-3-11(21)4-6-12/h3-10,15H,2H2,1H3,(H,24,27)(H,28,29)
InChIKeyXFPQUVBYUYDWAV-UHFFFAOYSA-N
XLogP3.13
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 53.13
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]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid (CID 59278479) is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is XFPQUVBYUYDWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O4/c1-2-15(19-25-16(10-30-19)20(28)29)24-18(27)14-7-22-9-17-13(14)8-23-26(17)12-5-3-11(21)4-6-12/h3-10,15H,2H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid?
2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 409.38 g/mol, XLogP of 3.13, 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]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 59278479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).