2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide

C31H33N5O3 — CID 135382509

IUPAC2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C1CNCc2ccccc21
InChIInChI=1S/C31H33N5O3/c1-30(2,3)29(39)36(25-17-32-16-20-7-4-5-8-23(20)25)18-26(37)34-22-11-10-19-14-31(15-21(19)13-22)24-9-6-12-33-27(24)35-28(31)38/h4-13,25,32H,14-18H2,1-3H3,(H,34,37)(H,33,35,38)
InChIKeyMITZCNCYBSGACS-UHFFFAOYSA-N
MW523.64 g/mol
LogP3.73
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide

2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide (PubChem CID 135382509) has the molecular formula C31H33N5O3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide
PubChem CID135382509
Molecular FormulaC31H33N5O3
Molecular Weight523.64 g/mol
Exact Mass523.26
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide
SMILESCC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C1CNCc2ccccc21
InChIInChI=1S/C31H33N5O3/c1-30(2,3)29(39)36(25-17-32-16-20-7-4-5-8-23(20)25)18-26(37)34-22-11-10-19-14-31(15-21(19)13-22)24-9-6-12-33-27(24)35-28(31)38/h4-13,25,32H,14-18H2,1-3H3,(H,34,37)(H,33,35,38)
InChIKeyMITZCNCYBSGACS-UHFFFAOYSA-N
XLogP3.73
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide with MolForge

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Related Compounds

2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
CID 156903437
2,2-dimethyl-N-[(3S)-6-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
CID 146609993
N-[(2-acetylphenyl)methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473423
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473514
N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473507
tert-butyl 2-[2-[[2,2-dimethylpropanoyl-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]amino]methyl]phenyl]acetate
CID 159552116
2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-[(2-pyridin-3-ylphenyl)methyl]propanamide
CID 164629033
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-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 72945135
2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 71064178
N-[[2-[[3-(dimethylamino)propylamino]methyl]phenyl]methyl]-2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]propanamide
CID 142473607
N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 146610330
4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide
CID 146609736

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide (CID 135382509) is 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide is CC(C)(C)C(=O)N(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C1CNCc2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide?
The InChIKey is MITZCNCYBSGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3/c1-30(2,3)29(39)36(25-17-32-16-20-7-4-5-8-23(20)25)18-26(37)34-22-11-10-19-14-31(15-21(19)13-22)24-9-6-12-33-27(24)35-28(31)38/h4-13,25,32H,14-18H2,1-3H3,(H,34,37)(H,33,35,38).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide?
2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide has a molecular weight of 523.64 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]-N-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanamide is sourced from PubChem (CID 135382509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).