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

C23H24N6O — CID 135489341

IUPAC3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
SMILESN#Cc1ccc2c(-c3cc4c(CNCCN5CCOCC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C23H24N6O/c24-14-16-4-5-18-21(12-16)27-28-23(18)22-13-19-17(2-1-3-20(19)26-22)15-25-6-7-29-8-10-30-11-9-29/h1-5,12-13,25-26H,6-11,15H2,(H,27,28)
InChIKeyUJYSADMJQWNDFF-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.00
Rot. Bonds6

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

3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile (PubChem CID 135489341) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
PubChem CID135489341
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
SMILESN#Cc1ccc2c(-c3cc4c(CNCCN5CCOCC5)cccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C23H24N6O/c24-14-16-4-5-18-21(12-16)27-28-23(18)22-13-19-17(2-1-3-20(19)26-22)15-25-6-7-29-8-10-30-11-9-29/h1-5,12-13,25-26H,6-11,15H2,(H,27,28)
InChIKeyUJYSADMJQWNDFF-UHFFFAOYSA-N
XLogP3.00
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methoxyethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135491719
4-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 28583075
3-[4-[(3-aminopropylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148167
3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
CID 22480066
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-morpholin-4-ylethanamine
CID 80649987
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135468045
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
ethane;4-[(2-morpholin-4-ylethylamino)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
CID 143265671
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The IUPAC name of 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile (CID 135489341) is 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile.
What is the SMILES notation for 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The canonical SMILES for 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile is N#Cc1ccc2c(-c3cc4c(CNCCN5CCOCC5)cccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
The InChIKey is UJYSADMJQWNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-14-16-4-5-18-21(12-16)27-28-23(18)22-13-19-17(2-1-3-20(19)26-22)15-25-6-7-29-8-10-30-11-9-29/h1-5,12-13,25-26H,6-11,15H2,(H,27,28).
What are the key properties of 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile?
3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-morpholin-4-ylethylamino)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile is sourced from PubChem (CID 135489341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).