2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine

C20H23ClFN7O2 — CID 164549281

IUPAC2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(CN(C)C)OC)n3)n(C)c2c(F)c1Cl
InChIInChI=1S/C20H23ClFN7O2/c1-27(2)9-13(31-5)19-24-20(26-25-19)18-17(29-7-6-23-10-29)11-8-12(30-4)14(21)15(22)16(11)28(18)3/h6-8,10,13H,9H2,1-5H3,(H,24,25,26)
InChIKeyNAQWMJYYJFGNTC-UHFFFAOYSA-N
MW447.90 g/mol
LogP3.20
Rot. Bonds7

About 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine

2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine (PubChem CID 164549281) has the molecular formula C20H23ClFN7O2 and a molecular weight of 447.90 g/mol. Its IUPAC name is 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine
PubChem CID164549281
Molecular FormulaC20H23ClFN7O2
Molecular Weight447.90 g/mol
Exact Mass447.16
IUPAC Name2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(CN(C)C)OC)n3)n(C)c2c(F)c1Cl
InChIInChI=1S/C20H23ClFN7O2/c1-27(2)9-13(31-5)19-24-20(26-25-19)18-17(29-7-6-23-10-29)11-8-12(30-4)14(21)15(22)16(11)28(18)3/h6-8,10,13H,9H2,1-5H3,(H,24,25,26)
InChIKeyNAQWMJYYJFGNTC-UHFFFAOYSA-N
XLogP3.20
TPSA86.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine (CID 164549281) is 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine is COc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(CN(C)C)OC)n3)n(C)c2c(F)c1Cl.
What is the InChIKey of 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine?
The InChIKey is NAQWMJYYJFGNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN7O2/c1-27(2)9-13(31-5)19-24-20(26-25-19)18-17(29-7-6-23-10-29)11-8-12(30-4)14(21)15(22)16(11)28(18)3/h6-8,10,13H,9H2,1-5H3,(H,24,25,26).
What are the key properties of 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine?
2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine has a molecular weight of 447.90 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloro-7-fluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-1H-1,2,4-triazol-5-yl]-2-methoxy-N,N-dimethylethanamine is sourced from PubChem (CID 164549281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).