N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide

C25H33N7O3 — CID 59258559

IUPACN-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(OCCN4CCNCC4)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C25H33N7O3/c1-17-18(2)27-21-4-3-19(15-20(17)21)28-24(33)22-16-23(35-14-9-31-7-5-26-6-8-31)30-25(29-22)32-10-12-34-13-11-32/h3-4,15-16,26-27H,5-14H2,1-2H3,(H,28,33)
InChIKeyIVLCWGBGTOSIFA-UHFFFAOYSA-N
MW479.59 g/mol
LogP1.95
Rot. Bonds7

About N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide

N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 59258559) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
PubChem CID59258559
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC NameN-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(OCCN4CCNCC4)nc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C25H33N7O3/c1-17-18(2)27-21-4-3-19(15-20(17)21)28-24(33)22-16-23(35-14-9-31-7-5-26-6-8-31)30-25(29-22)32-10-12-34-13-11-32/h3-4,15-16,26-27H,5-14H2,1-2H3,(H,28,33)
InChIKeyIVLCWGBGTOSIFA-UHFFFAOYSA-N
XLogP1.95
TPSA107.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 51.95
H-Bond Donors ≤ 53
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)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258584
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
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
6-[bis(2-hydroxyethyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 11568703
2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-4-carboxamide
CID 59258524
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
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)-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
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide (CID 59258559) is N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide is Cc1[nH]c2ccc(NC(=O)c3cc(OCCN4CCNCC4)nc(N4CCOCC4)n3)cc2c1C.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide?
The InChIKey is IVLCWGBGTOSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-17-18(2)27-21-4-3-19(15-20(17)21)28-24(33)22-16-23(35-14-9-31-7-5-26-6-8-31)30-25(29-22)32-10-12-34-13-11-32/h3-4,15-16,26-27H,5-14H2,1-2H3,(H,28,33).
What are the key properties of N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide?
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 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)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 59258559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).