[2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone

C24H20N4O — CID 44577985

IUPAC[2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc2c(C(=O)c3ccccc3NCc3ccc4cn[nH]c4c3)c[nH]c12
InChIInChI=1S/C24H20N4O/c1-15-5-4-7-18-20(14-26-23(15)18)24(29)19-6-2-3-8-21(19)25-12-16-9-10-17-13-27-28-22(17)11-16/h2-11,13-14,25-26H,12H2,1H3,(H,27,28)
InChIKeyCKLWELKYTJOOFX-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.20
Rot. Bonds5

About [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone

[2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone (PubChem CID 44577985) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone
PubChem CID44577985
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name[2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc2c(C(=O)c3ccccc3NCc3ccc4cn[nH]c4c3)c[nH]c12
InChIInChI=1S/C24H20N4O/c1-15-5-4-7-18-20(14-26-23(15)18)24(29)19-6-2-3-8-21(19)25-12-16-9-10-17-13-27-28-22(17)11-16/h2-11,13-14,25-26H,12H2,1H3,(H,27,28)
InChIKeyCKLWELKYTJOOFX-UHFFFAOYSA-N
XLogP5.20
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone?
The IUPAC name of [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone (CID 44577985) is [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone is Cc1cccc2c(C(=O)c3ccccc3NCc3ccc4cn[nH]c4c3)c[nH]c12.
What is the InChIKey of [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone?
The InChIKey is CKLWELKYTJOOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-5-4-7-18-20(14-26-23(15)18)24(29)19-6-2-3-8-21(19)25-12-16-9-10-17-13-27-28-22(17)11-16/h2-11,13-14,25-26H,12H2,1H3,(H,27,28).
What are the key properties of [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone?
[2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indazol-6-ylmethylamino)phenyl]-(7-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 44577985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).