2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine

C20H21N5O — CID 10736426

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc2[nH]cc(CCNCc3cccc(-n4cccn4)n3)c2c1
InChIInChI=1S/C20H21N5O/c1-26-17-6-7-19-18(12-17)15(13-22-19)8-10-21-14-16-4-2-5-20(24-16)25-11-3-9-23-25/h2-7,9,11-13,21-22H,8,10,14H2,1H3
InChIKeyXNYDMDGXTWAAQZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.09
Rot. Bonds7

About 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine

2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine (PubChem CID 10736426) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
PubChem CID10736426
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc2[nH]cc(CCNCc3cccc(-n4cccn4)n3)c2c1
InChIInChI=1S/C20H21N5O/c1-26-17-6-7-19-18(12-17)15(13-22-19)8-10-21-14-16-4-2-5-20(24-16)25-11-3-9-23-25/h2-7,9,11-13,21-22H,8,10,14H2,1H3
InChIKeyXNYDMDGXTWAAQZ-UHFFFAOYSA-N
XLogP3.09
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tegaserod
CID 135409453
1-(1-(2,3-Dihydro-1-(4-methoxy-2-methylphenyl)-6-methyl-1H-pyrrolo(2,3-b)pyridin-4-yl)-1H-pyrazol-3-yl)-2-imidazolidinone
CID 11223423
Retelliptine
CID 68913
Acrizanib
CID 59394698
Torkinib
CID 135565635
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
1-[(5-Methoxy-3-indolylidene)methylamino]-2-pentylguanidine
CID 60918
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine (CID 10736426) is 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine is COc1ccc2[nH]cc(CCNCc3cccc(-n4cccn4)n3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
The InChIKey is XNYDMDGXTWAAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-26-17-6-7-19-18(12-17)15(13-22-19)8-10-21-14-16-4-2-5-20(24-16)25-11-3-9-23-25/h2-7,9,11-13,21-22H,8,10,14H2,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine?
2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine has a molecular weight of 347.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 10736426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).