1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide

C31H26FN3O3 — CID 159183666

IUPAC1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide
SMILESCc1c(-c2ncc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1N1Cc2ccc(F)cc2C1=O
InChIInChI=1S/C31H26FN3O3/c1-16-21(5-4-6-26(16)35-15-17-7-9-20(32)13-23(17)30(35)37)28-27-22-10-8-19(31(2,3)38)11-18(22)12-24(27)25(14-34-28)29(33)36/h4-11,13-14,38H,12,15H2,1-3H3,(H2,33,36)
InChIKeyKNFDBQPUPIAYNO-UHFFFAOYSA-N
MW507.57 g/mol
LogP5.25
Rot. Bonds4

About 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide

1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide (PubChem CID 159183666) has the molecular formula C31H26FN3O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide
PubChem CID159183666
Molecular FormulaC31H26FN3O3
Molecular Weight507.57 g/mol
Exact Mass507.20
IUPAC Name1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide
SMILESCc1c(-c2ncc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1N1Cc2ccc(F)cc2C1=O
InChIInChI=1S/C31H26FN3O3/c1-16-21(5-4-6-26(16)35-15-17-7-9-20(32)13-23(17)30(35)37)28-27-22-10-8-19(31(2,3)38)11-18(22)12-24(27)25(14-34-28)29(33)36/h4-11,13-14,38H,12,15H2,1-3H3,(H2,33,36)
InChIKeyKNFDBQPUPIAYNO-UHFFFAOYSA-N
XLogP5.25
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide with MolForge

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Related Compounds

4-(3-(6-Fluoro-1-oxoisoindolin-2-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 46220516
2-[4-[[2,3-Dimethyl-5-(pyridin-3-ylmethylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 122179686
US10266491, Example 38
CID 130362421
3-[(1-Acetylindole-3-carbonyl)amino]-5-phenylbenzoic acid
CID 141736322
3-[(1-Acetylindole-3-carbonyl)amino]-5-(3-fluorophenyl)benzoic acid
CID 141736376
3-[(1-Acetylindole-3-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]benzoic acid
CID 141736379
7-Amino-4-(5-fluoro-2-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2,3-dihydroisoindol-1-one
CID 169320875
3-[(1-Acetylindole-3-carbonyl)amino]-5-(5-methyl-3-pyridinyl)benzoic acid
CID 145953602
4-{1-[(1-methyl-1H-indol-4-yl)carbonyl]piperidin-3-yl}benzoic acid
CID 72907720
2-[[2-[5-(4-fluorophenyl)-1H-indol-3-yl]acetyl]amino]-4-methylbenzoic acid
CID 10272441
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-[4-(hydroxymethyl)phenyl]-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 10303043
1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-1H-indol-3-yl]ethane-1,2-dione
CID 21510687

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide?
The IUPAC name of 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide (CID 159183666) is 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide?
The canonical SMILES for 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide is Cc1c(-c2ncc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1N1Cc2ccc(F)cc2C1=O.
What is the InChIKey of 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide?
The InChIKey is KNFDBQPUPIAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O3/c1-16-21(5-4-6-26(16)35-15-17-7-9-20(32)13-23(17)30(35)37)28-27-22-10-8-19(31(2,3)38)11-18(22)12-24(27)25(14-34-28)29(33)36/h4-11,13-14,38H,12,15H2,1-3H3,(H2,33,36).
What are the key properties of 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide?
1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide has a molecular weight of 507.57 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-indeno[1,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 159183666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).