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

C25H25FN6O4 — CID 58084241

IUPAC2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide
SMILESCCC(=O)CNC(=O)c1nc(C(CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)oc1C
InChIInChI=1S/C25H25FN6O4/c1-4-17(33)10-28-24(35)22-14(3)36-25(31-22)20(5-2)30-23(34)19-11-27-13-21-18(19)12-29-32(21)16-8-6-15(26)7-9-16/h6-9,11-13,20H,4-5,10H2,1-3H3,(H,28,35)(H,30,34)
InChIKeyULHKQNMLGHLTAI-UHFFFAOYSA-N
MW492.51 g/mol
LogP3.45
Rot. Bonds9

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

2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide (PubChem CID 58084241) has the molecular formula C25H25FN6O4 and a molecular weight of 492.51 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide
PubChem CID58084241
Molecular FormulaC25H25FN6O4
Molecular Weight492.51 g/mol
Exact Mass492.19
IUPAC Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide
SMILESCCC(=O)CNC(=O)c1nc(C(CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)oc1C
InChIInChI=1S/C25H25FN6O4/c1-4-17(33)10-28-24(35)22-14(3)36-25(31-22)20(5-2)30-23(34)19-11-27-13-21-18(19)12-29-32(21)16-8-6-15(26)7-9-16/h6-9,11-13,20H,4-5,10H2,1-3H3,(H,28,35)(H,30,34)
InChIKeyULHKQNMLGHLTAI-UHFFFAOYSA-N
XLogP3.45
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-N-(2-oxobutyl)-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-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide (CID 58084241) is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-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-N-(2-oxobutyl)-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-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide is CCC(=O)CNC(=O)c1nc(C(CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)oc1C.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ULHKQNMLGHLTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4/c1-4-17(33)10-28-24(35)22-14(3)36-25(31-22)20(5-2)30-23(34)19-11-27-13-21-18(19)12-29-32(21)16-8-6-15(26)7-9-16/h6-9,11-13,20H,4-5,10H2,1-3H3,(H,28,35)(H,30,34).
What are the key properties of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide?
2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 492.51 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 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-N-(2-oxobutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58084241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).