[4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate

C18H18F4N4O3 — CID 174579061

IUPAC[4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate
SMILESNC(=O)c1cc(F)cc2cn(C3CNC(OC(=O)C(F)(F)F)(C4CCC4)C3)nc12
InChIInChI=1S/C18H18F4N4O3/c19-11-4-9-8-26(25-14(9)13(5-11)15(23)27)12-6-17(24-7-12,10-2-1-3-10)29-16(28)18(20,21)22/h4-5,8,10,12,24H,1-3,6-7H2,(H2,23,27)
InChIKeyGAYPCLPAIIZMPI-UHFFFAOYSA-N
MW414.36 g/mol
LogP2.41
Rot. Bonds4

About [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate

[4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 174579061) has the molecular formula C18H18F4N4O3 and a molecular weight of 414.36 g/mol. Its IUPAC name is [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate
PubChem CID174579061
Molecular FormulaC18H18F4N4O3
Molecular Weight414.36 g/mol
Exact Mass414.13
IUPAC Name[4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate
SMILESNC(=O)c1cc(F)cc2cn(C3CNC(OC(=O)C(F)(F)F)(C4CCC4)C3)nc12
InChIInChI=1S/C18H18F4N4O3/c19-11-4-9-8-26(25-14(9)13(5-11)15(23)27)12-6-17(24-7-12,10-2-1-3-10)29-16(28)18(20,21)22/h4-5,8,10,12,24H,1-3,6-7H2,(H2,23,27)
InChIKeyGAYPCLPAIIZMPI-UHFFFAOYSA-N
XLogP2.41
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate 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

2-[2-[Di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide
CID 24968809
Tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate
CID 24968810
[1-[[4-(7-Carbamoylindazol-2-yl)phenyl]methylamino]cyclohexyl] 2,2,2-trifluoroacetate
CID 57502533
[1-[[4-(7-Carbamoylindazol-2-yl)phenyl]methylamino]-3,3-difluorocyclobutyl] 2,2,2-trifluoroacetate
CID 57502702
[1-[[[4-(7-Carbamoylindazol-2-yl)phenyl]methylamino]methyl]cyclobutyl]methyl 2,2,2-trifluoroacetate
CID 57502788
Tert-butyl 3-[7-(aminocarbonyl)-5-fluoro-2h-indazol-2-yl]pyrrolidine-1-carboxylate
CID 57502819
[3-(7-Carbamoyl-5-fluoroindazol-2-yl)pyrrolidin-1-yl] 2,2,2-trifluoroacetate
CID 57502821
[3-(7-Carbamoyl-5-fluoroindazol-2-yl)-1-methylpyrrolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 57502822
[3-(7-Carbamoyl-5-fluoroindazol-2-yl)-1-ethylpyrrolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 57502823
[3-(7-Carbamoyl-5-fluoroindazol-2-yl)-1-propylpyrrolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 57502824
[3-(7-Carbamoyl-5-fluoroindazol-2-yl)-1-propan-2-ylpyrrolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 57502825
[3-(7-Carbamoyl-5-fluoroindazol-2-yl)-1-cyclohexylpyrrolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 57502826

Frequently Asked Questions

What is the IUPAC name of [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate (CID 174579061) is [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate is NC(=O)c1cc(F)cc2cn(C3CNC(OC(=O)C(F)(F)F)(C4CCC4)C3)nc12.
What is the InChIKey of [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is GAYPCLPAIIZMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O3/c19-11-4-9-8-26(25-14(9)13(5-11)15(23)27)12-6-17(24-7-12,10-2-1-3-10)29-16(28)18(20,21)22/h4-5,8,10,12,24H,1-3,6-7H2,(H2,23,27).
What are the key properties of [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate?
[4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 414.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-carbamoyl-5-fluoroindazol-2-yl)-2-cyclobutylpyrrolidin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 174579061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).