3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide

C24H17ClFN3O2 — CID 134522506

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide
SMILESO=C1CC(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)C1
InChIInChI=1S/C24H17ClFN3O2/c25-21-4-2-1-3-19(21)23-20-10-5-14(24(31)27-16-12-18(30)13-16)11-22(20)29(28-23)17-8-6-15(26)7-9-17/h1-11,16H,12-13H2,(H,27,31)
InChIKeyFMOWOPWZWWLPCP-UHFFFAOYSA-N
MW433.87 g/mol
LogP4.95
Rot. Bonds4

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide (PubChem CID 134522506) has the molecular formula C24H17ClFN3O2 and a molecular weight of 433.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide
PubChem CID134522506
Molecular FormulaC24H17ClFN3O2
Molecular Weight433.87 g/mol
Exact Mass433.10
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide
SMILESO=C1CC(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)C1
InChIInChI=1S/C24H17ClFN3O2/c25-21-4-2-1-3-19(21)23-20-10-5-14(24(31)27-16-12-18(30)13-16)11-22(20)29(28-23)17-8-6-15(26)7-9-17/h1-11,16H,12-13H2,(H,27,31)
InChIKeyFMOWOPWZWWLPCP-UHFFFAOYSA-N
XLogP4.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide (CID 134522506) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide is O=C1CC(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide?
The InChIKey is FMOWOPWZWWLPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O2/c25-21-4-2-1-3-19(21)23-20-10-5-14(24(31)27-16-12-18(30)13-16)11-22(20)29(28-23)17-8-6-15(26)7-9-17/h1-11,16H,12-13H2,(H,27,31).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-oxocyclobutyl)indazole-6-carboxamide is sourced from PubChem (CID 134522506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).