1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide

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(C1=NC(=C(O1)C)C(=O)NC)NC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F
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
MW436.40 g/mol
LogP2.40
Rot. Bonds6

About 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide

1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide (PubChem CID 45137859) has the molecular formula C22H21FN6O3 and a molecular weight of 436.40 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 Name1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide
PubChem CID45137859
Molecular FormulaC22H21FN6O3
Molecular Weight436.40 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(C1=NC(=C(O1)C)C(=O)NC)NC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F
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
XLogP2.40
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity676

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide?
The IUPAC name of 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide (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 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide?
The canonical SMILES for 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide is CCC(C1=NC(=C(O1)C)C(=O)NC)NC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F.
What is the InChIKey of 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide?
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 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide?
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide has a molecular weight of 436.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [1-(5-methyl-4-methylcarbamoyl-oxazol-2-yl)-propyl]-amide is sourced from PubChem (CID 45137859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).