3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide

C24H21F3N4O — CID 156816411

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)n1
InChIInChI=1S/C24H21F3N4O/c1-31-7-6-18(30-31)12-28-24(32)15-8-14(9-15)21-19-10-17(26)11-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-7,10-11,14-15,29H,8-9,12H2,1H3,(H,28,32)
InChIKeyMAPUPXRQFUMGHW-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.80
Rot. Bonds5

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 156816411) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID156816411
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)n1
InChIInChI=1S/C24H21F3N4O/c1-31-7-6-18(30-31)12-28-24(32)15-8-14(9-15)21-19-10-17(26)11-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-7,10-11,14-15,29H,8-9,12H2,1H3,(H,28,32)
InChIKeyMAPUPXRQFUMGHW-UHFFFAOYSA-N
XLogP4.80
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide 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]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide (CID 156816411) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide is Cn1ccc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)n1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is MAPUPXRQFUMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-31-7-6-18(30-31)12-28-24(32)15-8-14(9-15)21-19-10-17(26)11-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-7,10-11,14-15,29H,8-9,12H2,1H3,(H,28,32).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 156816411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).