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

C22H21FN6O3 — CID 45137859

IUPAC2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)c(C)o1
InChIInChI=1S/C22H21FN6O3/c1-4-17(22-28-19(12(2)32-22)21(31)24-3)27-20(30)16-9-25-11-18-15(16)10-26-29(18)14-7-5-13(23)6-8-14/h5-11,17H,4H2,1-3H3,(H,24,31)(H,27,30)
InChIKeyDESBKHJIFCPTRM-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.10
Rot. Bonds6

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

2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 45137859) has the molecular formula C22H21FN6O3 and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID45137859
Molecular FormulaC22H21FN6O3
Molecular Weight436.45 g/mol
Exact Mass436.17
IUPAC Name2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)c(C)o1
InChIInChI=1S/C22H21FN6O3/c1-4-17(22-28-19(12(2)32-22)21(31)24-3)27-20(30)16-9-25-11-18-15(16)10-26-29(18)14-7-5-13(23)6-8-14/h5-11,17H,4H2,1-3H3,(H,24,31)(H,27,30)
InChIKeyDESBKHJIFCPTRM-UHFFFAOYSA-N
XLogP3.10
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.10
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]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (CID 45137859) is 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-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]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NC)c(C)o1.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is DESBKHJIFCPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O3/c1-4-17(22-28-19(12(2)32-22)21(31)24-3)27-20(30)16-9-25-11-18-15(16)10-26-29(18)14-7-5-13(23)6-8-14/h5-11,17H,4H2,1-3H3,(H,24,31)(H,27,30).
What are the key properties of 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 3.10, 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]-N,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45137859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).