1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline

C21H21ClFN3 — CID 138617268

IUPAC1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline
SMILESCn1nc2c(Cl)cccc2c1C1=NC(C)(C)C(C)(C)c2c(F)cccc21
InChIInChI=1S/C21H21ClFN3/c1-20(2)16-12(8-7-11-15(16)23)18(24-21(20,3)4)19-13-9-6-10-14(22)17(13)25-26(19)5/h6-11H,1-5H3
InChIKeyUEIKQZOIERNRDG-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.27
Rot. Bonds1

About 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline

1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline (PubChem CID 138617268) has the molecular formula C21H21ClFN3 and a molecular weight of 369.87 g/mol. Its IUPAC name is 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline.

Molecular Properties

Compound Name1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline
PubChem CID138617268
Molecular FormulaC21H21ClFN3
Molecular Weight369.87 g/mol
Exact Mass369.14
IUPAC Name1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline
SMILESCn1nc2c(Cl)cccc2c1C1=NC(C)(C)C(C)(C)c2c(F)cccc21
InChIInChI=1S/C21H21ClFN3/c1-20(2)16-12(8-7-11-15(16)23)18(24-21(20,3)4)19-13-9-6-10-14(22)17(13)25-26(19)5/h6-11H,1-5H3
InChIKeyUEIKQZOIERNRDG-UHFFFAOYSA-N
XLogP5.27
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline 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

5-fluoro-1-(6-fluoro-2-methylindazol-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 138617281
3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)-7-methyl-2,1-benzothiazole
CID 138617290
1-(7-bromo-2-methylindazol-3-yl)-5-fluoro-3,3-dimethyl-4H-isoquinolin-4-ol
CID 126572636
8-fluoro-3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)cinnoline
CID 135152450
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylquinolin-3-yl)isoquinoline
CID 23160741
5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
CID 135306253
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylpyrrolo[1,2-a]pyrimidin-3-yl)isoquinoline
CID 123197246
5-fluoro-3,3,4,4-tetramethyl-1-(6-methylpyrrolo[1,2-b]pyridazin-3-yl)isoquinoline
CID 118302964
5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 23160881
3,3-dimethyl-1-(2-methylindazol-3-yl)isoquinolin-4-one
CID 138617273
3-(5-chloro-4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-8-fluorocinnoline
CID 135152423
5-fluoro-1-(7-methoxypyrrolo[1,2-b]pyridazin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 118302977

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline?
The IUPAC name of 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline (CID 138617268) is 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline.
What is the SMILES notation for 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline?
The canonical SMILES for 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline is Cn1nc2c(Cl)cccc2c1C1=NC(C)(C)C(C)(C)c2c(F)cccc21.
What is the InChIKey of 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline?
The InChIKey is UEIKQZOIERNRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3/c1-20(2)16-12(8-7-11-15(16)23)18(24-21(20,3)4)19-13-9-6-10-14(22)17(13)25-26(19)5/h6-11H,1-5H3.
What are the key properties of 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline?
1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline has a molecular weight of 369.87 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline is sourced from PubChem (CID 138617268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).