2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

C40H46Cl2N8O6 — CID 158374697

IUPAC2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESC[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C.C[C@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C
InChIInChI=1S/2C20H23ClN4O3/c2*1-13-10-14-15(21)4-3-5-16(14)25(13)20(27)11-17-22-18(12-19(26)23(17)2)24-6-8-28-9-7-24/h2*3-5,12-13H,6-11H2,1-2H3/t2*13-/m10/s1
InChIKeyGVAVTZAJELMABY-JACLSRQLSA-N
MW805.76 g/mol
LogP3.58
Rot. Bonds6

About 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (PubChem CID 158374697) has the molecular formula C40H46Cl2N8O6 and a molecular weight of 805.76 g/mol. Its IUPAC name is 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
PubChem CID158374697
Molecular FormulaC40H46Cl2N8O6
Molecular Weight805.76 g/mol
Exact Mass804.29
IUPAC Name2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESC[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C.C[C@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C
InChIInChI=1S/2C20H23ClN4O3/c2*1-13-10-14-15(21)4-3-5-16(14)25(13)20(27)11-17-22-18(12-19(26)23(17)2)24-6-8-28-9-7-24/h2*3-5,12-13H,6-11H2,1-2H3/t2*13-/m10/s1
InChIKeyGVAVTZAJELMABY-JACLSRQLSA-N
XLogP3.58
TPSA135.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (CID 158374697) is 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is C[C@@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C.C[C@H]1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C.
What is the InChIKey of 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The InChIKey is GVAVTZAJELMABY-JACLSRQLSA-N. The full InChI is InChI=1S/2C20H23ClN4O3/c2*1-13-10-14-15(21)4-3-5-16(14)25(13)20(27)11-17-22-18(12-19(26)23(17)2)24-6-8-28-9-7-24/h2*3-5,12-13H,6-11H2,1-2H3/t2*13-/m10/s1.
What are the key properties of 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one has a molecular weight of 805.76 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one;2-[2-[(2S)-4-chloro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 158374697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).