1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C25H24FN5O3 — CID 118086885

IUPAC1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O
InChIInChI=1S/C25H24FN5O3/c1-15-13-17(29-11-3-2-7-21(29)32)8-9-20(15)30-12-10-19-22(24(27)33)28-31(23(19)25(30)34)18-6-4-5-16(26)14-18/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H2,27,33)
InChIKeyTVDBCMPSHCZTLS-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.14
Rot. Bonds4

About 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086885) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086885
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O
InChIInChI=1S/C25H24FN5O3/c1-15-13-17(29-11-3-2-7-21(29)32)8-9-20(15)30-12-10-19-22(24(27)33)28-31(23(19)25(30)34)18-6-4-5-16(26)14-18/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H2,27,33)
InChIKeyTVDBCMPSHCZTLS-UHFFFAOYSA-N
XLogP3.14
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086885) is 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is TVDBCMPSHCZTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-15-13-17(29-11-3-2-7-21(29)32)8-9-20(15)30-12-10-19-22(24(27)33)28-31(23(19)25(30)34)18-6-4-5-16(26)14-18/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H2,27,33).
What are the key properties of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).