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

C25H23F2N5O3 — CID 118086943

IUPAC1-(2,4-difluorophenyl)-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(-c3ccc(F)cc3F)c2C1=O
InChIInChI=1S/C25H23F2N5O3/c1-14-12-16(30-10-3-2-4-21(30)33)6-8-19(14)31-11-9-17-22(24(28)34)29-32(23(17)25(31)35)20-7-5-15(26)13-18(20)27/h5-8,12-13H,2-4,9-11H2,1H3,(H2,28,34)
InChIKeyKJQMBAWDLNTELA-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.28
Rot. Bonds4

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

1-(2,4-difluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086943) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086943
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name1-(2,4-difluorophenyl)-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(-c3ccc(F)cc3F)c2C1=O
InChIInChI=1S/C25H23F2N5O3/c1-14-12-16(30-10-3-2-4-21(30)33)6-8-19(14)31-11-9-17-22(24(28)34)29-32(23(17)25(31)35)20-7-5-15(26)13-18(20)27/h5-8,12-13H,2-4,9-11H2,1H3,(H2,28,34)
InChIKeyKJQMBAWDLNTELA-UHFFFAOYSA-N
XLogP3.28
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086943) is 1-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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(-c3ccc(F)cc3F)c2C1=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is KJQMBAWDLNTELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-14-12-16(30-10-3-2-4-21(30)33)6-8-19(14)31-11-9-17-22(24(28)34)29-32(23(17)25(31)35)20-7-5-15(26)13-18(20)27/h5-8,12-13H,2-4,9-11H2,1H3,(H2,28,34).
What are the key properties of 1-(2,4-difluorophenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(2,4-difluorophenyl)-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 479.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-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 118086943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).