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

C26H25FN4O4 — CID 131997832

IUPAC1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)cc1F
InChIInChI=1S/C26H25FN4O4/c1-15-12-16(5-7-21(15)30-10-3-4-23(30)32)29-11-9-18-19(25(28)33)14-31(24(18)26(29)34)17-6-8-22(35-2)20(27)13-17/h5-8,12-14H,3-4,9-11H2,1-2H3,(H2,28,33)
InChIKeyWQMVVJVJHMBKCJ-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.36
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 131997832) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID131997832
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)cc1F
InChIInChI=1S/C26H25FN4O4/c1-15-12-16(5-7-21(15)30-10-3-4-23(30)32)29-11-9-18-19(25(28)33)14-31(24(18)26(29)34)17-6-8-22(35-2)20(27)13-17/h5-8,12-14H,3-4,9-11H2,1-2H3,(H2,28,33)
InChIKeyWQMVVJVJHMBKCJ-UHFFFAOYSA-N
XLogP3.36
TPSA97.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
N-(4-methoxyphenyl)-2-oxo-2-{1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}acetamide
CID 3514052
2-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-oxoacetamide
CID 16032351
1-(4-(4-methoxyphenyl)piperazin-1-yl)-2-(1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-1H-indol-3-yl)ethane-1,2-dione
CID 41429555
N-(2-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxyphenyl)picolinamide
CID 44441355
US10800785, Example 24
CID 138628697
US10800785, Example 23
CID 138628712
US10800785, Example 18
CID 138628725
US10800785, Example 92
CID 138628791
US10800785, Example 17
CID 138628826
US10800785, Example 94
CID 138628843
2-(1H-indol-3-yl)-N-(3-(4-(4-methoxyphenyl)piperazin-1-yl)propyl)-2-oxoacetamide
CID 7087103

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide (CID 131997832) is 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide is COc1ccc(-n2cc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC4=O)c(C)c2)CC3)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is WQMVVJVJHMBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-15-12-16(5-7-21(15)30-10-3-4-23(30)32)29-11-9-18-19(25(28)33)14-31(24(18)26(29)34)17-6-8-22(35-2)20(27)13-17/h5-8,12-14H,3-4,9-11H2,1-2H3,(H2,28,33).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide?
1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 131997832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).