[3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine

C32H23FN4 — CID 11569244

IUPAC[3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine
SMILESCc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(C#Cc4ccc5ncccc5c4)cc3)ccc12
InChIInChI=1S/C32H23FN4/c1-21-28-14-15-29(31(33)32(28)37(36-21)27-6-2-4-24(19-27)20-34)25-12-9-22(10-13-25)7-8-23-11-16-30-26(18-23)5-3-17-35-30/h2-6,9-19H,20,34H2,1H3
InChIKeyFXWZSIQGOAOVMF-UHFFFAOYSA-N
MW482.56 g/mol
LogP6.55
Rot. Bonds3

About [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine

[3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine (PubChem CID 11569244) has the molecular formula C32H23FN4 and a molecular weight of 482.56 g/mol. Its IUPAC name is [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine
PubChem CID11569244
Molecular FormulaC32H23FN4
Molecular Weight482.56 g/mol
Exact Mass482.19
IUPAC Name[3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine
SMILESCc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(C#Cc4ccc5ncccc5c4)cc3)ccc12
InChIInChI=1S/C32H23FN4/c1-21-28-14-15-29(31(33)32(28)37(36-21)27-6-2-4-24(19-27)20-34)25-12-9-22(10-13-25)7-8-23-11-16-30-26(18-23)5-3-17-35-30/h2-6,9-19H,20,34H2,1H3
InChIKeyFXWZSIQGOAOVMF-UHFFFAOYSA-N
XLogP6.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164610927
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164621330
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164623515
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
CID 164628562
4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223297
1H-Indole-2-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45272392
1H-Indole-7-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45273258
2-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)ethynyl)quinoline
CID 71578082
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
4-Benzyl-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline
CID 137642817

Frequently Asked Questions

What is the IUPAC name of [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine?
The IUPAC name of [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine (CID 11569244) is [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine?
The canonical SMILES for [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine is Cc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(C#Cc4ccc5ncccc5c4)cc3)ccc12.
What is the InChIKey of [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine?
The InChIKey is FXWZSIQGOAOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23FN4/c1-21-28-14-15-29(31(33)32(28)37(36-21)27-6-2-4-24(19-27)20-34)25-12-9-22(10-13-25)7-8-23-11-16-30-26(18-23)5-3-17-35-30/h2-6,9-19H,20,34H2,1H3.
What are the key properties of [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine?
[3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine has a molecular weight of 482.56 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-fluoro-3-methyl-6-[4-(2-quinolin-6-ylethynyl)phenyl]indazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 11569244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).