5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C19H21FN4O3 — CID 91914409

IUPAC5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(C(=O)CCC(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H21FN4O3/c1-23(2)19(27)18-14-11-24(10-9-15(14)21-22-18)17(26)8-7-16(25)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3,(H,21,22)
InChIKeyCPLOWPMAWDYACQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.80
Rot. Bonds5

About 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91914409) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91914409
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(C(=O)CCC(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H21FN4O3/c1-23(2)19(27)18-14-11-24(10-9-15(14)21-22-18)17(26)8-7-16(25)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3,(H,21,22)
InChIKeyCPLOWPMAWDYACQ-UHFFFAOYSA-N
XLogP1.80
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91914409) is 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(C(=O)CCC(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is CPLOWPMAWDYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-23(2)19(27)18-14-11-24(10-9-15(14)21-22-18)17(26)8-7-16(25)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3,(H,21,22).
What are the key properties of 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91914409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).