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

C25H24FN5O4 — CID 118086951

IUPAC1-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)ccc1F
InChIInChI=1S/C25H24FN5O4/c1-14-12-15(6-8-19(14)30-10-3-4-21(30)32)29-11-9-17-22(24(27)33)28-31(23(17)25(29)34)16-5-7-18(26)20(13-16)35-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,27,33)
InChIKeyYXXJPRQRGCUMPB-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.76
Rot. Bonds5

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

1-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086951) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086951
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)ccc1F
InChIInChI=1S/C25H24FN5O4/c1-14-12-15(6-8-19(14)30-10-3-4-21(30)32)29-11-9-17-22(24(27)33)28-31(23(17)25(29)34)16-5-7-18(26)20(13-16)35-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,27,33)
InChIKeyYXXJPRQRGCUMPB-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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Related Compounds

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1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}azepan-2-one
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N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}-N-methylacetamide
CID 23635264
1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl}-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
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6-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648151
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CID 23648152
6-[1-(2-{[(2S)-2-hydroxypyrrolidin-1-yl]methyl}phenyl)piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
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CID 23648155
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-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-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086951) is 1-(4-fluoro-3-methoxyphenyl)-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-(4-fluoro-3-methoxyphenyl)-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-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YXXJPRQRGCUMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-14-12-15(6-8-19(14)30-10-3-4-21(30)32)29-11-9-17-22(24(27)33)28-31(23(17)25(29)34)16-5-7-18(26)20(13-16)35-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,27,33).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-fluoro-3-methoxyphenyl)-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 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-(4-fluoro-3-methoxyphenyl)-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 118086951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).