5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C21H21N3O2 — CID 162652993

IUPAC5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1cc(-c2cnc3c(c2)CC(=O)N3)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C21H21N3O2/c1-11-5-14(16-7-15-8-18(25)23-20(15)22-9-16)6-17-10-24(21(26)19(11)17)12(2)13-3-4-13/h5-7,9,12-13H,3-4,8,10H2,1-2H3,(H,22,23,25)
InChIKeyGLIMCJGCLWSQFX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.31
Rot. Bonds3

About 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 162652993) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID162652993
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCc1cc(-c2cnc3c(c2)CC(=O)N3)cc2c1C(=O)N(C(C)C1CC1)C2
InChIInChI=1S/C21H21N3O2/c1-11-5-14(16-7-15-8-18(25)23-20(15)22-9-16)6-17-10-24(21(26)19(11)17)12(2)13-3-4-13/h5-7,9,12-13H,3-4,8,10H2,1-2H3,(H,22,23,25)
InChIKeyGLIMCJGCLWSQFX-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(Pyrrolidino(2,1-B)Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea
CID 445840
3-(1-Methyl-2-Oxo-2,3-Dihydro-1h-Imidazo[4,5-B]pyridin-6-Yl)benzamide
CID 56593154
2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]-N-[(1R)-1-phenylethyl]propanamide
CID 72945134
2,2-dimethyl-N-[3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-ynyl]-N-[(1R)-1-phenylethyl]propanamide
CID 72945725
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide
CID 72948095
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylpyridin-2-yl)propanamide
CID 2878113
3-[(2-fluorophenyl)amino]-2-(5-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
CID 5308743
1-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-pyridin-2-ylurea
CID 11130623
2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 11639510
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-6-yl)benzamide
CID 44250547
N-cyclopropyl-4-methyl-3-(6-oxospiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopentane]-2-yl)benzamide
CID 44250621
4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclopentane]-6-yl)-N-pyridin-2-ylbenzamide
CID 44251298

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 162652993) is 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is Cc1cc(-c2cnc3c(c2)CC(=O)N3)cc2c1C(=O)N(C(C)C1CC1)C2.
What is the InChIKey of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is GLIMCJGCLWSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-11-5-14(16-7-15-8-18(25)23-20(15)22-9-16)6-17-10-24(21(26)19(11)17)12(2)13-3-4-13/h5-7,9,12-13H,3-4,8,10H2,1-2H3,(H,22,23,25).
What are the key properties of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 162652993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).