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

C24H21F2N5O3 — CID 118086881

IUPAC1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCc3c(C(N)=O)nn(-c4cc(F)cc(F)c4)c3C2=O)ccc1N1CCCC1=O
InChIInChI=1S/C24H21F2N5O3/c1-13-9-16(4-5-19(13)30-7-2-3-20(30)32)29-8-6-18-21(23(27)33)28-31(22(18)24(29)34)17-11-14(25)10-15(26)12-17/h4-5,9-12H,2-3,6-8H2,1H3,(H2,27,33)
InChIKeyAQNCQFSRWLCDBT-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.89
Rot. Bonds4

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

1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086881) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086881
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC Name1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCc3c(C(N)=O)nn(-c4cc(F)cc(F)c4)c3C2=O)ccc1N1CCCC1=O
InChIInChI=1S/C24H21F2N5O3/c1-13-9-16(4-5-19(13)30-7-2-3-20(30)32)29-8-6-18-21(23(27)33)28-31(22(18)24(29)34)17-11-14(25)10-15(26)12-17/h4-5,9-12H,2-3,6-8H2,1H3,(H2,27,33)
InChIKeyAQNCQFSRWLCDBT-UHFFFAOYSA-N
XLogP2.89
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086881) is 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc(N2CCc3c(C(N)=O)nn(-c4cc(F)cc(F)c4)c3C2=O)ccc1N1CCCC1=O.
What is the InChIKey of 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is AQNCQFSRWLCDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-13-9-16(4-5-19(13)30-7-2-3-20(30)32)29-8-6-18-21(23(27)33)28-31(22(18)24(29)34)17-11-14(25)10-15(26)12-17/h4-5,9-12H,2-3,6-8H2,1H3,(H2,27,33).
What are the key properties of 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).