1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C23H22FN5O3 — CID 58084213

IUPAC1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(=O)c1nc(C(CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)oc1C
InChIInChI=1S/C23H22FN5O3/c1-4-18(23-28-21(13(3)32-23)20(30)5-2)27-22(31)17-10-25-12-19-16(17)11-26-29(19)15-8-6-14(24)7-9-15/h6-12,18H,4-5H2,1-3H3,(H,27,31)
InChIKeyACJMCCAPVOKPQL-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.33
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 58084213) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID58084213
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(=O)c1nc(C(CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)oc1C
InChIInChI=1S/C23H22FN5O3/c1-4-18(23-28-21(13(3)32-23)20(30)5-2)27-22(31)17-10-25-12-19-16(17)11-26-29(19)15-8-6-14(24)7-9-15/h6-12,18H,4-5H2,1-3H3,(H,27,31)
InChIKeyACJMCCAPVOKPQL-UHFFFAOYSA-N
XLogP4.33
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 58084213) is 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CCC(=O)c1nc(C(CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)oc1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is ACJMCCAPVOKPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-4-18(23-28-21(13(3)32-23)20(30)5-2)27-22(31)17-10-25-12-19-16(17)11-26-29(19)15-8-6-14(24)7-9-15/h6-12,18H,4-5H2,1-3H3,(H,27,31).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(5-methyl-4-propanoyl-1,3-oxazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 58084213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).