3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one

C23H24N6O2 — CID 129104129

IUPAC3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOCC4)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H24N6O2/c1-15-25-11-17(12-26-15)16-4-5-18-19(10-16)29(22(30)23(18,2)3)21-14-24-13-20(27-21)28-6-8-31-9-7-28/h4-5,10-14H,6-9H2,1-3H3
InChIKeyMZSNRLOWZYPXOG-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.03
Rot. Bonds3

About 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one (PubChem CID 129104129) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one
PubChem CID129104129
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOCC4)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C23H24N6O2/c1-15-25-11-17(12-26-15)16-4-5-18-19(10-16)29(22(30)23(18,2)3)21-14-24-13-20(27-21)28-6-8-31-9-7-28/h4-5,10-14H,6-9H2,1-3H3
InChIKeyMZSNRLOWZYPXOG-UHFFFAOYSA-N
XLogP3.03
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10810441
1'-[(1-Methylimidazol-2-yl)methyl]-1-(6-pyrrol-1-yl-3-pyridinyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173747
[3-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 59244527
5,5-dimethyl-7-[(1S)-1-phenylethyl]-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
CID 70942743
3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]indol-2-one
CID 129104124
3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one
CID 129104140
3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one
CID 129104149
3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-pyrrolidin-1-ylpyrazin-2-yl)indol-2-one
CID 129104160
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)indol-2-one
CID 129104202
Ent1-IN-1
CID 129104212
3,3-Dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one
CID 129104258
5-[3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
CID 129104273

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one (CID 129104129) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOCC4)n2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one?
The InChIKey is MZSNRLOWZYPXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-25-11-17(12-26-15)16-4-5-18-19(10-16)29(22(30)23(18,2)3)21-14-24-13-20(27-21)28-6-8-31-9-7-28/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one?
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one has a molecular weight of 416.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-morpholin-4-ylpyrazin-2-yl)indol-2-one is sourced from PubChem (CID 129104129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).