3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile

C20H19N5O — CID 135491719

IUPAC3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
SMILESCOCCNCc1cccc2[nH]c(-c3n[nH]c4cc(C#N)ccc34)cc12
InChIInChI=1S/C20H19N5O/c1-26-8-7-22-12-14-3-2-4-17-16(14)10-19(23-17)20-15-6-5-13(11-21)9-18(15)24-25-20/h2-6,9-10,22-23H,7-8,12H2,1H3,(H,24,25)
InChIKeyOZMTUMAWDYVXLS-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.32
Rot. Bonds6

About 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile

3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile (PubChem CID 135491719) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
PubChem CID135491719
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
SMILESCOCCNCc1cccc2[nH]c(-c3n[nH]c4cc(C#N)ccc34)cc12
InChIInChI=1S/C20H19N5O/c1-26-8-7-22-12-14-3-2-4-17-16(14)10-19(23-17)20-15-6-5-13(11-21)9-18(15)24-25-20/h2-6,9-10,22-23H,7-8,12H2,1H3,(H,24,25)
InChIKeyOZMTUMAWDYVXLS-UHFFFAOYSA-N
XLogP3.32
TPSA89.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135466530
3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135489341
3-[4-[(3-aminopropylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148167
4-[4-[(2-methoxyethylamino)methyl]-1H-pyrazol-5-yl]benzonitrile
CID 79485589
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
N-[(3-bromo-2-but-2-ynoxyphenyl)methyl]-2-methoxyethanamine
CID 63059055
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
3-[(3-methoxypropylamino)methyl]benzonitrile
CID 28673378
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The IUPAC name of 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile (CID 135491719) is 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile.
What is the SMILES notation for 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The canonical SMILES for 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile is COCCNCc1cccc2[nH]c(-c3n[nH]c4cc(C#N)ccc34)cc12.
What is the InChIKey of 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The InChIKey is OZMTUMAWDYVXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-8-7-22-12-14-3-2-4-17-16(14)10-19(23-17)20-15-6-5-13(11-21)9-18(15)24-25-20/h2-6,9-10,22-23H,7-8,12H2,1H3,(H,24,25).
What are the key properties of 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile is sourced from PubChem (CID 135491719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).