[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate

C23H20F3N5O2 — CID 156815851

IUPAC[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate
SMILESCn1cc(CNC(=O)OC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)nn1
InChIInChI=1S/C23H20F3N5O2/c1-31-11-16(29-30-31)10-27-23(32)33-17-6-13(7-17)20-18-8-15(25)9-19(26)22(18)28-21(20)12-2-4-14(24)5-3-12/h2-5,8-9,11,13,17,28H,6-7,10H2,1H3,(H,27,32)
InChIKeyNUMZSHMOGMYEIG-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.55
Rot. Bonds5

About [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate (PubChem CID 156815851) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate
PubChem CID156815851
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate
SMILESCn1cc(CNC(=O)OC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)nn1
InChIInChI=1S/C23H20F3N5O2/c1-31-11-16(29-30-31)10-27-23(32)33-17-6-13(7-17)20-18-8-15(25)9-19(26)22(18)28-21(20)12-2-4-14(24)5-3-12/h2-5,8-9,11,13,17,28H,6-7,10H2,1H3,(H,27,32)
InChIKeyNUMZSHMOGMYEIG-UHFFFAOYSA-N
XLogP4.55
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate 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 [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate?
The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate (CID 156815851) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate.
What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate?
The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate is Cn1cc(CNC(=O)OC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)nn1.
What is the InChIKey of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate?
The InChIKey is NUMZSHMOGMYEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-31-11-16(29-30-31)10-27-23(32)33-17-6-13(7-17)20-18-8-15(25)9-19(26)22(18)28-21(20)12-2-4-14(24)5-3-12/h2-5,8-9,11,13,17,28H,6-7,10H2,1H3,(H,27,32).
What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate?
[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate has a molecular weight of 455.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl] N-[(1-methyltriazol-4-yl)methyl]carbamate is sourced from PubChem (CID 156815851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).