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

C25H24FN5O4 — CID 118086983

IUPAC1-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(F)c(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1
InChIInChI=1S/C25H24FN5O4/c1-14-12-15(29-10-3-4-21(29)32)5-8-19(14)30-11-9-17-22(24(27)33)28-31(23(17)25(30)34)20-13-16(35-2)6-7-18(20)26/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,27,33)
InChIKeyHYOMGPVKWPZMAO-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.76
Rot. Bonds5

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

1-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086983) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086983
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(F)c(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1
InChIInChI=1S/C25H24FN5O4/c1-14-12-15(29-10-3-4-21(29)32)5-8-19(14)30-11-9-17-22(24(27)33)28-31(23(17)25(30)34)20-13-16(35-2)6-7-18(20)26/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,27,33)
InChIKeyHYOMGPVKWPZMAO-UHFFFAOYSA-N
XLogP2.76
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-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-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086983) is 1-(2-fluoro-5-methoxyphenyl)-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-(2-fluoro-5-methoxyphenyl)-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-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(F)c(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)cc2C)CC3)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is HYOMGPVKWPZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-14-12-15(29-10-3-4-21(29)32)5-8-19(14)30-11-9-17-22(24(27)33)28-31(23(17)25(30)34)20-13-16(35-2)6-7-18(20)26/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,27,33).
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(2-fluoro-5-methoxyphenyl)-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 477.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-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 118086983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).