3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile

C22H24N6O2 — CID 50995910

IUPAC3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1nc(NCCN3CCOCC3)nc3c1CCC3)C(=O)N2
InChIInChI=1S/C22H24N6O2/c23-13-14-4-5-18-16(12-14)19(21(29)25-18)20-15-2-1-3-17(15)26-22(27-20)24-6-7-28-8-10-30-11-9-28/h4-5,12,19H,1-3,6-11H2,(H,25,29)(H,24,26,27)
InChIKeyGMGVKAKXPMHPBK-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.67
Rot. Bonds5

About 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile

3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile (PubChem CID 50995910) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile
PubChem CID50995910
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1nc(NCCN3CCOCC3)nc3c1CCC3)C(=O)N2
InChIInChI=1S/C22H24N6O2/c23-13-14-4-5-18-16(12-14)19(21(29)25-18)20-15-2-1-3-17(15)26-22(27-20)24-6-7-28-8-10-30-11-9-28/h4-5,12,19H,1-3,6-11H2,(H,25,29)(H,24,26,27)
InChIKeyGMGVKAKXPMHPBK-UHFFFAOYSA-N
XLogP1.67
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile with MolForge

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Related Compounds

5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 50995543
2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile
CID 50996081
5-bromo-3-[2-(2-methylpropyl)-6-(3-morpholin-4-ylpropylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 59023238
5-methyl-3-(2-morpholin-4-ylethylamino)-1,3-dihydroindol-2-one
CID 43195503
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-6-carbonitrile;hydrochloride
CID 10474343
3-[6-[(6-chloro-3-pyridinyl)methylamino]-2-cyclopentylpyrazolo[3,4-d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile
CID 87332376
1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol
CID 136503607
3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile
CID 56948376
(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 28628842
4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112913267
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile?
The IUPAC name of 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile (CID 50995910) is 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile is N#Cc1ccc2c(c1)C(c1nc(NCCN3CCOCC3)nc3c1CCC3)C(=O)N2.
What is the InChIKey of 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile?
The InChIKey is GMGVKAKXPMHPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-13-14-4-5-18-16(12-14)19(21(29)25-18)20-15-2-1-3-17(15)26-22(27-20)24-6-7-28-8-10-30-11-9-28/h4-5,12,19H,1-3,6-11H2,(H,25,29)(H,24,26,27).
What are the key properties of 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile?
3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile has a molecular weight of 404.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 50995910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).