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

C23H28N6O3 — CID 11697823

IUPACN-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(N4CCOCC4)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C23H28N6O3/c1-15-16(2)24-19-4-3-17(13-18(15)19)25-22(30)20-14-21(28-5-9-31-10-6-28)27-23(26-20)29-7-11-32-12-8-29/h3-4,13-14,24H,5-12H2,1-2H3,(H,25,30)
InChIKeyNQKWJJRXVCBGCC-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.50
Rot. Bonds4

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

N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 11697823) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
PubChem CID11697823
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(N4CCOCC4)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C23H28N6O3/c1-15-16(2)24-19-4-3-17(13-18(15)19)25-22(30)20-14-21(28-5-9-31-10-6-28)27-23(26-20)29-7-11-32-12-8-29/h3-4,13-14,24H,5-12H2,1-2H3,(H,25,30)
InChIKeyNQKWJJRXVCBGCC-UHFFFAOYSA-N
XLogP2.50
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
CID 59258676
6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 90805752
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-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258584
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
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
6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258719
N-(2,3-dimethyl-1H-indol-5-yl)-6-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258592
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-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide (CID 11697823) is N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide is Cc1[nH]c2ccc(NC(=O)c3cc(N4CCOCC4)nc(N4CCOCC4)n3)cc2c1C.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is NQKWJJRXVCBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-15-16(2)24-19-4-3-17(13-18(15)19)25-22(30)20-14-21(28-5-9-31-10-6-28)27-23(26-20)29-7-11-32-12-8-29/h3-4,13-14,24H,5-12H2,1-2H3,(H,25,30).
What are the key properties of N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide?
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 11697823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).