(3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one

C14H13ClN4O — CID 124888729

IUPAC(3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1CCNc1ncc(Cl)cn1
InChIInChI=1S/C14H13ClN4O/c15-9-7-17-14(18-8-9)16-6-5-11-10-3-1-2-4-12(10)19-13(11)20/h1-4,7-8,11H,5-6H2,(H,19,20)(H,16,17,18)/t11-/m0/s1
InChIKeyOOMNGROJCKKJMN-NSHDSACASA-N
MW288.74 g/mol
LogP2.67
Rot. Bonds4

About (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one

(3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one (PubChem CID 124888729) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one
PubChem CID124888729
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name(3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1CCNc1ncc(Cl)cn1
InChIInChI=1S/C14H13ClN4O/c15-9-7-17-14(18-8-9)16-6-5-11-10-3-1-2-4-12(10)19-13(11)20/h1-4,7-8,11H,5-6H2,(H,19,20)(H,16,17,18)/t11-/m0/s1
InChIKeyOOMNGROJCKKJMN-NSHDSACASA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
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(3S)-3-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-dihydroindol-2-one
CID 51614521
3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide
CID 120969198
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118182864
4-[[(1S,3R)-3-hydroxy-2,2-dimethylcyclohexyl]amino]-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118179429
3-(2-oxo-1,3-dihydroindol-3-yl)propanal
CID 86190152
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-phenoxyacetamide
CID 110730204
1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
(3S)-3-[2-(4-fluoro-2-nitroanilino)ethyl]-1,3-dihydroindol-2-one
CID 51514225
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one (CID 124888729) is (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2[C@@H]1CCNc1ncc(Cl)cn1.
What is the InChIKey of (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is OOMNGROJCKKJMN-NSHDSACASA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-9-7-17-14(18-8-9)16-6-5-11-10-3-1-2-4-12(10)19-13(11)20/h1-4,7-8,11H,5-6H2,(H,19,20)(H,16,17,18)/t11-/m0/s1.
What are the key properties of (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one?
(3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 288.74 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 124888729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).