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

C25H25N5O3 — CID 118086860

IUPAC6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)cc1
InChIInChI=1S/C25H25N5O3/c1-15-5-7-17(8-6-15)30-23-19(22(27-30)24(26)32)11-13-29(25(23)33)20-10-9-18(14-16(20)2)28-12-3-4-21(28)31/h5-10,14H,3-4,11-13H2,1-2H3,(H2,26,32)
InChIKeyMAGKVLBIYYLWFR-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.92
Rot. Bonds4

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

6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086860) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086860
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)cc1
InChIInChI=1S/C25H25N5O3/c1-15-5-7-17(8-6-15)30-23-19(22(27-30)24(26)32)11-13-29(25(23)33)20-10-9-18(14-16(20)2)28-12-3-4-21(28)31/h5-10,14H,3-4,11-13H2,1-2H3,(H2,26,32)
InChIKeyMAGKVLBIYYLWFR-UHFFFAOYSA-N
XLogP2.92
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086860) is 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)cc1.
What is the InChIKey of 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is MAGKVLBIYYLWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-5-7-17(8-6-15)30-23-19(22(27-30)24(26)32)11-13-29(25(23)33)20-10-9-18(14-16(20)2)28-12-3-4-21(28)31/h5-10,14H,3-4,11-13H2,1-2H3,(H2,26,32).
What are the key properties of 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).