2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone

C25H30N4O3 — CID 58060148

IUPAC2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone
SMILESCc1[nH]c2ccc(CC(=O)c3cc(N4CCOCC4)cc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C25H30N4O3/c1-17-18(2)26-22-4-3-19(13-21(17)22)14-24(30)23-15-20(28-5-9-31-10-6-28)16-25(27-23)29-7-11-32-12-8-29/h3-4,13,15-16,26H,5-12,14H2,1-2H3
InChIKeyWKBJXWSAYWWJEL-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.28
Rot. Bonds5

About 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone

2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone (PubChem CID 58060148) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone
PubChem CID58060148
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone
SMILESCc1[nH]c2ccc(CC(=O)c3cc(N4CCOCC4)cc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C25H30N4O3/c1-17-18(2)26-22-4-3-19(13-21(17)22)14-24(30)23-15-20(28-5-9-31-10-6-28)16-25(27-23)29-7-11-32-12-8-29/h3-4,13,15-16,26H,5-12,14H2,1-2H3
InChIKeyWKBJXWSAYWWJEL-UHFFFAOYSA-N
XLogP3.28
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one
CID 58060129
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
CID 59258676
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-[2-(5-fluoro-2-morpholin-4-ylphenyl)-2-oxoethyl]-4-methyl-1H-quinolin-2-one
CID 159564619
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060102
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-(3-methylanilino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258592
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
CID 59218180
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)methyl]-2-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]acetamide
CID 124942272

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone?
The IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone (CID 58060148) is 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone is Cc1[nH]c2ccc(CC(=O)c3cc(N4CCOCC4)cc(N4CCOCC4)n3)cc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone?
The InChIKey is WKBJXWSAYWWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-18(2)26-22-4-3-19(13-21(17)22)14-24(30)23-15-20(28-5-9-31-10-6-28)16-25(27-23)29-7-11-32-12-8-29/h3-4,13,15-16,26H,5-12,14H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone?
2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone has a molecular weight of 434.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 58060148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).