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

C24H26N6O2 — CID 129104258

IUPAC3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc(C)c(N4CCOCC4)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C24H26N6O2/c1-15-22(29-7-9-32-10-8-29)28-21(14-25-15)30-20-11-17(18-12-26-16(2)27-13-18)5-6-19(20)24(3,4)23(30)31/h5-6,11-14H,7-10H2,1-4H3
InChIKeyMFWHTIQPBDMXBN-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.34
Rot. Bonds3

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

3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one (PubChem CID 129104258) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one
PubChem CID129104258
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cnc(C)c(N4CCOCC4)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C24H26N6O2/c1-15-22(29-7-9-32-10-8-29)28-21(14-25-15)30-20-11-17(18-12-26-16(2)27-13-18)5-6-19(20)24(3,4)23(30)31/h5-6,11-14H,7-10H2,1-4H3
InChIKeyMFWHTIQPBDMXBN-UHFFFAOYSA-N
XLogP3.34
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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[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
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one (CID 129104258) is 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cnc(C)c(N4CCOCC4)n2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one?
The InChIKey is MFWHTIQPBDMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-22(29-7-9-32-10-8-29)28-21(14-25-15)30-20-11-17(18-12-26-16(2)27-13-18)5-6-19(20)24(3,4)23(30)31/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one?
3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methyl-6-morpholin-4-ylpyrazin-2-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one is sourced from PubChem (CID 129104258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).