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

C24H25N5O2 — CID 129104140

IUPAC3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOCC4)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C24H25N5O2/c1-16-26-12-18(13-27-16)17-4-5-21-22(10-17)29(23(30)24(21,2)3)20-11-19(14-25-15-20)28-6-8-31-9-7-28/h4-5,10-15H,6-9H2,1-3H3
InChIKeyUNVGTXOAVBOYGO-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.64
Rot. Bonds3

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

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one (PubChem CID 129104140) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one
PubChem CID129104140
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOCC4)c2)C(=O)C3(C)C)cn1
InChIInChI=1S/C24H25N5O2/c1-16-26-12-18(13-27-16)17-4-5-21-22(10-17)29(23(30)24(21,2)3)20-11-19(14-25-15-20)28-6-8-31-9-7-28/h4-5,10-15H,6-9H2,1-3H3
InChIKeyUNVGTXOAVBOYGO-UHFFFAOYSA-N
XLogP3.64
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one (CID 129104140) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2cncc(N4CCOCC4)c2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one?
The InChIKey is UNVGTXOAVBOYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-26-12-18(13-27-16)17-4-5-21-22(10-17)29(23(30)24(21,2)3)20-11-19(14-25-15-20)28-6-8-31-9-7-28/h4-5,10-15H,6-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one?
3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one is sourced from PubChem (CID 129104140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).