5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile

C24H22N4O — CID 146342438

IUPAC5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile
SMILESCc1c(-c2ccccc2)cccc1-n1cc2cc(CNCCO)cc(C#N)c2n1
InChIInChI=1S/C24H22N4O/c1-17-22(19-6-3-2-4-7-19)8-5-9-23(17)28-16-21-13-18(15-26-10-11-29)12-20(14-25)24(21)27-28/h2-9,12-13,16,26,29H,10-11,15H2,1H3
InChIKeyAYSDBABVGOUPPC-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.95
Rot. Bonds6

About 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile

5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile (PubChem CID 146342438) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile.

Molecular Properties

Compound Name5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile
PubChem CID146342438
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile
SMILESCc1c(-c2ccccc2)cccc1-n1cc2cc(CNCCO)cc(C#N)c2n1
InChIInChI=1S/C24H22N4O/c1-17-22(19-6-3-2-4-7-19)8-5-9-23(17)28-16-21-13-18(15-26-10-11-29)12-20(14-25)24(21)27-28/h2-9,12-13,16,26,29H,10-11,15H2,1H3
InChIKeyAYSDBABVGOUPPC-UHFFFAOYSA-N
XLogP3.95
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile?
The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile (CID 146342438) is 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile.
What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile?
The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile is Cc1c(-c2ccccc2)cccc1-n1cc2cc(CNCCO)cc(C#N)c2n1.
What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile?
The InChIKey is AYSDBABVGOUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-22(19-6-3-2-4-7-19)8-5-9-23(17)28-16-21-13-18(15-26-10-11-29)12-20(14-25)24(21)27-28/h2-9,12-13,16,26,29H,10-11,15H2,1H3.
What are the key properties of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile?
5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile has a molecular weight of 382.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)indazole-7-carbonitrile is sourced from PubChem (CID 146342438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).