3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one

C25H28N4O2 — CID 118606991

IUPAC3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(N4CCOCC4)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H28N4O2/c1-25(2)15-19-22(20(30)16-25)24(27-18-6-4-3-5-7-18)23(28-19)17-8-9-26-21(14-17)29-10-12-31-13-11-29/h3-9,14,27-28H,10-13,15-16H2,1-2H3
InChIKeySTLJPVHSDFAPEX-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.81
Rot. Bonds4

About 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one

3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one (PubChem CID 118606991) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
PubChem CID118606991
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(N4CCOCC4)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H28N4O2/c1-25(2)15-19-22(20(30)16-25)24(27-18-6-4-3-5-7-18)23(28-19)17-8-9-26-21(14-17)29-10-12-31-13-11-29/h3-9,14,27-28H,10-13,15-16H2,1-2H3
InChIKeySTLJPVHSDFAPEX-UHFFFAOYSA-N
XLogP4.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one with MolForge

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Related Compounds

2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
Pyrrolo-pyrimidone, 15
CID 135524110
6-[2-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]pyridin-4-yl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
CID 135524168
2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
3-Fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 118341385
2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
4-[6-[[2-(2,6-Difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]morpholin-3-one
CID 118341405
5-(2-Methoxyethyl)-2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480561
Pyrrolo-pyrimidone, 6
CID 135524116
7-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056548
2-[2-(4-acetylphenyl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 53246708
2-[2-(3-acetylphenyl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54583882

Frequently Asked Questions

What is the IUPAC name of 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one (CID 118606991) is 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one is CC1(C)CC(=O)c2c([nH]c(-c3ccnc(N4CCOCC4)c3)c2Nc2ccccc2)C1.
What is the InChIKey of 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?
The InChIKey is STLJPVHSDFAPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-25(2)15-19-22(20(30)16-25)24(27-18-6-4-3-5-7-18)23(28-19)17-8-9-26-21(14-17)29-10-12-31-13-11-29/h3-9,14,27-28H,10-13,15-16H2,1-2H3.
What are the key properties of 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?
3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one has a molecular weight of 416.53 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6,6-dimethyl-2-(2-morpholin-4-yl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 118606991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).