N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide

C22H27N5O5S — CID 59258584

IUPACN-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(OCCS(C)(=O)=O)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C22H27N5O5S/c1-14-15(2)23-18-5-4-16(12-17(14)18)24-21(28)19-13-20(32-10-11-33(3,29)30)26-22(25-19)27-6-8-31-9-7-27/h4-5,12-13,23H,6-11H2,1-3H3,(H,24,28)
InChIKeyFEJONMNVZQLKSY-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.09
Rot. Bonds7

About N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 59258584) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID59258584
Molecular FormulaC22H27N5O5S
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC NameN-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(OCCS(C)(=O)=O)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C22H27N5O5S/c1-14-15(2)23-18-5-4-16(12-17(14)18)24-21(28)19-13-20(32-10-11-33(3,29)30)26-22(25-19)27-6-8-31-9-7-27/h4-5,12-13,23H,6-11H2,1-3H3,(H,24,28)
InChIKeyFEJONMNVZQLKSY-UHFFFAOYSA-N
XLogP2.09
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
N-(2,3-dimethyl-1H-indol-5-yl)-6-[2-[hydroxy(2-propoxyethyl)amino]ethoxy]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 118181635
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
CID 59258676
6-[bis(2-hydroxyethyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 11568703
N-(2,3-dimethyl-1H-indol-5-yl)-6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258718
6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 90805752
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-4-carboxamide
CID 59258549
N-(2,3-dimethyl-1H-indol-5-yl)-6-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258592
6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258719
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 59258584) is N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1[nH]c2ccc(NC(=O)c3cc(OCCS(C)(=O)=O)nc(N4CCOCC4)n3)cc2c1C.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is FEJONMNVZQLKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-14-15(2)23-18-5-4-16(12-17(14)18)24-21(28)19-13-20(32-10-11-33(3,29)30)26-22(25-19)27-6-8-31-9-7-27/h4-5,12-13,23H,6-11H2,1-3H3,(H,24,28).
What are the key properties of N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).