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

C24H22FN5O3 — CID 118086858

IUPAC1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3ccc(F)cc3)c2C1=O
InChIInChI=1S/C24H22FN5O3/c1-14-13-17(28-11-2-3-20(28)31)8-9-19(14)29-12-10-18-21(23(26)32)27-30(22(18)24(29)33)16-6-4-15(25)5-7-16/h4-9,13H,2-3,10-12H2,1H3,(H2,26,32)
InChIKeyAUPWOHFKAMSKIE-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.75
Rot. Bonds4

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

1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086858) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086858
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3ccc(F)cc3)c2C1=O
InChIInChI=1S/C24H22FN5O3/c1-14-13-17(28-11-2-3-20(28)31)8-9-19(14)29-12-10-18-21(23(26)32)27-30(22(18)24(29)33)16-6-4-15(25)5-7-16/h4-9,13H,2-3,10-12H2,1H3,(H2,26,32)
InChIKeyAUPWOHFKAMSKIE-UHFFFAOYSA-N
XLogP2.75
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086858) is 1-(4-fluorophenyl)-6-[2-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-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc(N2CCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3ccc(F)cc3)c2C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is AUPWOHFKAMSKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-14-13-17(28-11-2-3-20(28)31)8-9-19(14)29-12-10-18-21(23(26)32)27-30(22(18)24(29)33)16-6-4-15(25)5-7-16/h4-9,13H,2-3,10-12H2,1H3,(H2,26,32).
What are the key properties of 1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).