2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde

C18H19N3O — CID 143510786

IUPAC2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(-c2cc(C)c3nn(C)cc3c2)cc1
InChIInChI=1S/C18H19N3O/c1-12-8-15(9-16-10-21(3)20-18(12)16)13-4-6-14(7-5-13)17(11-22)19-2/h4-11,17,19H,1-3H3
InChIKeyQRTHLKAPYAJFCU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.01
Rot. Bonds4

About 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde

2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde (PubChem CID 143510786) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde.

Molecular Properties

Compound Name2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde
PubChem CID143510786
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(-c2cc(C)c3nn(C)cc3c2)cc1
InChIInChI=1S/C18H19N3O/c1-12-8-15(9-16-10-21(3)20-18(12)16)13-4-6-14(7-5-13)17(11-22)19-2/h4-11,17,19H,1-3H3
InChIKeyQRTHLKAPYAJFCU-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
2-(methylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116954169
ethane;2,5,7-trimethylindazole
CID 156845071
2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
CID 142492191
2-(4-bromophenyl)-2-(methylamino)acetaldehyde
CID 116954131
7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 156888869
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
7-(2,7-dimethylindazol-5-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
CID 156889025
2,7-dimethyl-5-(2,3,5-trimethyl-4H-azepin-7-yl)indazole
CID 153382942
2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 116954230
ethane;N,2,5-trimethylindazol-7-amine
CID 176566989
6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156888169

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde?
The IUPAC name of 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde (CID 143510786) is 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde.
What is the SMILES notation for 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde?
The canonical SMILES for 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde is CNC(C=O)c1ccc(-c2cc(C)c3nn(C)cc3c2)cc1.
What is the InChIKey of 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde?
The InChIKey is QRTHLKAPYAJFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-8-15(9-16-10-21(3)20-18(12)16)13-4-6-14(7-5-13)17(11-22)19-2/h4-11,17,19H,1-3H3.
What are the key properties of 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde?
2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde has a molecular weight of 293.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,7-dimethylindazol-5-yl)phenyl]-2-(methylamino)acetaldehyde is sourced from PubChem (CID 143510786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).