2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine

C30H36N4O5 — CID 59218180

IUPAC2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
SMILESCOc1cc(CCOc2cc(Nc3ccc4[nH]c(C)c(C)c4c3)cc(N3CCOCC3)n2)cc(OC)c1OC
InChIInChI=1S/C30H36N4O5/c1-19-20(2)31-25-7-6-22(16-24(19)25)32-23-17-28(34-9-12-38-13-10-34)33-29(18-23)39-11-8-21-14-26(35-3)30(37-5)27(15-21)36-4/h6-7,14-18,31H,8-13H2,1-5H3,(H,32,33)
InChIKeyDEYLRVGASDUZLJ-UHFFFAOYSA-N
MW532.64 g/mol
LogP5.41
Rot. Bonds10

About 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine

2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine (PubChem CID 59218180) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
PubChem CID59218180
Molecular FormulaC30H36N4O5
Molecular Weight532.64 g/mol
Exact Mass532.27
IUPAC Name2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
SMILESCOc1cc(CCOc2cc(Nc3ccc4[nH]c(C)c(C)c4c3)cc(N3CCOCC3)n2)cc(OC)c1OC
InChIInChI=1S/C30H36N4O5/c1-19-20(2)31-25-7-6-22(16-24(19)25)32-23-17-28(34-9-12-38-13-10-34)33-29(18-23)39-11-8-21-14-26(35-3)30(37-5)27(15-21)36-4/h6-7,14-18,31H,8-13H2,1-5H3,(H,32,33)
InChIKeyDEYLRVGASDUZLJ-UHFFFAOYSA-N
XLogP5.41
TPSA90.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 55.41
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-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
CID 11362859
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
4-N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(Z)-prop-1-enyl]pyrimidine-2,4-diamine
CID 71193496
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)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060102
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
CID 89163595
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine
CID 90829808
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060423
N-(2,3-dimethyl-1H-indol-5-yl)-6-[2-[hydroxy(2-propoxyethyl)amino]ethoxy]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 118181635
2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone
CID 58060148

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine?
The IUPAC name of 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine (CID 59218180) is 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine is COc1cc(CCOc2cc(Nc3ccc4[nH]c(C)c(C)c4c3)cc(N3CCOCC3)n2)cc(OC)c1OC.
What is the InChIKey of 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine?
The InChIKey is DEYLRVGASDUZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5/c1-19-20(2)31-25-7-6-22(16-24(19)25)32-23-17-28(34-9-12-38-13-10-34)33-29(18-23)39-11-8-21-14-26(35-3)30(37-5)27(15-21)36-4/h6-7,14-18,31H,8-13H2,1-5H3,(H,32,33).
What are the key properties of 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine?
2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine has a molecular weight of 532.64 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine is sourced from PubChem (CID 59218180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).