5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one

C15H15ClN4O — CID 176947867

IUPAC5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(Nc3nc(C)ncc3Cl)ccc21
InChIInChI=1S/C15H15ClN4O/c1-3-20-13-5-4-11(6-10(13)7-14(20)21)19-15-12(16)8-17-9(2)18-15/h4-6,8H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyDGLYROHBOXJTNE-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.09
Rot. Bonds3

About 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one

5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one (PubChem CID 176947867) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one
PubChem CID176947867
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(Nc3nc(C)ncc3Cl)ccc21
InChIInChI=1S/C15H15ClN4O/c1-3-20-13-5-4-11(6-10(13)7-14(20)21)19-15-12(16)8-17-9(2)18-15/h4-6,8H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyDGLYROHBOXJTNE-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1-ethyl-3H-indol-2-one
CID 168583424
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
2-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzamide
CID 27639248
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459382
1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375820
5-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-yl-3H-indol-2-one
CID 176947833
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
CID 41342461

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one?
The IUPAC name of 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one (CID 176947867) is 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one.
What is the SMILES notation for 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one?
The canonical SMILES for 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one is CCN1C(=O)Cc2cc(Nc3nc(C)ncc3Cl)ccc21.
What is the InChIKey of 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one?
The InChIKey is DGLYROHBOXJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-3-20-13-5-4-11(6-10(13)7-14(20)21)19-15-12(16)8-17-9(2)18-15/h4-6,8H,3,7H2,1-2H3,(H,17,18,19).
What are the key properties of 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one?
5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one has a molecular weight of 302.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methylpyrimidin-4-yl)amino]-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 176947867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).