3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide

C26H20ClFN4O2 — CID 134522128

IUPAC3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide
SMILESN#Cc1ccc(Cl)c(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)NC4(CO)CCC4)ccc23)c1
InChIInChI=1S/C26H20ClFN4O2/c27-22-9-2-16(14-29)12-21(22)24-20-8-3-17(25(34)30-26(15-33)10-1-11-26)13-23(20)32(31-24)19-6-4-18(28)5-7-19/h2-9,12-13,33H,1,10-11,15H2,(H,30,34)
InChIKeyOZMDDFOOQFKYES-UHFFFAOYSA-N
MW474.92 g/mol
LogP5.00
Rot. Bonds5

About 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide

3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide (PubChem CID 134522128) has the molecular formula C26H20ClFN4O2 and a molecular weight of 474.92 g/mol. Its IUPAC name is 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide
PubChem CID134522128
Molecular FormulaC26H20ClFN4O2
Molecular Weight474.92 g/mol
Exact Mass474.13
IUPAC Name3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide
SMILESN#Cc1ccc(Cl)c(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)NC4(CO)CCC4)ccc23)c1
InChIInChI=1S/C26H20ClFN4O2/c27-22-9-2-16(14-29)12-21(22)24-20-8-3-17(25(34)30-26(15-33)10-1-11-26)13-23(20)32(31-24)19-6-4-18(28)5-7-19/h2-9,12-13,33H,1,10-11,15H2,(H,30,34)
InChIKeyOZMDDFOOQFKYES-UHFFFAOYSA-N
XLogP5.00
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.92
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-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-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide (CID 134522128) is 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide is N#Cc1ccc(Cl)c(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)NC4(CO)CCC4)ccc23)c1.
What is the InChIKey of 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide?
The InChIKey is OZMDDFOOQFKYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O2/c27-22-9-2-16(14-29)12-21(22)24-20-8-3-17(25(34)30-26(15-33)10-1-11-26)13-23(20)32(31-24)19-6-4-18(28)5-7-19/h2-9,12-13,33H,1,10-11,15H2,(H,30,34).
What are the key properties of 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide?
3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide has a molecular weight of 474.92 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-cyanophenyl)-1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclobutyl]indazole-6-carboxamide is sourced from PubChem (CID 134522128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).