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

C23H18N4O — CID 44577796

IUPAC[2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone
SMILESO=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N4O/c28-23(19-14-25-20-7-3-1-5-17(19)20)18-6-2-4-8-21(18)24-12-15-9-10-16-13-26-27-22(16)11-15/h1-11,13-14,24-25H,12H2,(H,26,27)
InChIKeySGLZEAMCOVIWDD-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.89
Rot. Bonds5

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

[2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone (PubChem CID 44577796) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone
PubChem CID44577796
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name[2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone
SMILESO=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H18N4O/c28-23(19-14-25-20-7-3-1-5-17(19)20)18-6-2-4-8-21(18)24-12-15-9-10-16-13-26-27-22(16)11-15/h1-11,13-14,24-25H,12H2,(H,26,27)
InChIKeySGLZEAMCOVIWDD-UHFFFAOYSA-N
XLogP4.89
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.89
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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Related Compounds

1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
CID 44577794
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
CID 44578022
N-(1H-indol-5-ylmethyl)-1H-indazol-4-amine
CID 102910187
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
1-[2-(1H-indazol-6-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 154872497
N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-(1H-indazol-6-ylmethyl)aniline
CID 91871296

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone?
The IUPAC name of [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone (CID 44577796) is [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone is O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone?
The InChIKey is SGLZEAMCOVIWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23(19-14-25-20-7-3-1-5-17(19)20)18-6-2-4-8-21(18)24-12-15-9-10-16-13-26-27-22(16)11-15/h1-11,13-14,24-25H,12H2,(H,26,27).
What are the key properties of [2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone?
[2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 4.89, 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]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 44577796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).