5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one

C22H26BrN5O2 — CID 50995543

IUPAC5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1c1nc(NCCCN2CCOCC2)nc2c1CCC2
InChIInChI=1S/C22H26BrN5O2/c23-14-5-6-18-16(13-14)19(21(29)25-18)20-15-3-1-4-17(15)26-22(27-20)24-7-2-8-28-9-11-30-12-10-28/h5-6,13,19H,1-4,7-12H2,(H,25,29)(H,24,26,27)
InChIKeyZWOKWPLJCBKCCC-UHFFFAOYSA-N
MW472.39 g/mol
LogP2.95
Rot. Bonds6

About 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one

5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 50995543) has the molecular formula C22H26BrN5O2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID50995543
Molecular FormulaC22H26BrN5O2
Molecular Weight472.39 g/mol
Exact Mass471.13
IUPAC Name5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1c1nc(NCCCN2CCOCC2)nc2c1CCC2
InChIInChI=1S/C22H26BrN5O2/c23-14-5-6-18-16(13-14)19(21(29)25-18)20-15-3-1-4-17(15)26-22(27-20)24-7-2-8-28-9-11-30-12-10-28/h5-6,13,19H,1-4,7-12H2,(H,25,29)(H,24,26,27)
InChIKeyZWOKWPLJCBKCCC-UHFFFAOYSA-N
XLogP2.95
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile
CID 50995910
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-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 43203362
5-methyl-3-(2-morpholin-4-ylethylamino)-1,3-dihydroindol-2-one
CID 43195503
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine
CID 121275835
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 63961941

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one (CID 50995543) is 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1c1nc(NCCCN2CCOCC2)nc2c1CCC2.
What is the InChIKey of 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is ZWOKWPLJCBKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN5O2/c23-14-5-6-18-16(13-14)19(21(29)25-18)20-15-3-1-4-17(15)26-22(27-20)24-7-2-8-28-9-11-30-12-10-28/h5-6,13,19H,1-4,7-12H2,(H,25,29)(H,24,26,27).
What are the key properties of 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one?
5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 472.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 50995543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).