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

C23H17ClFN3O2 — CID 134522059

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
SMILESO=C(NC1COC1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H17ClFN3O2/c24-20-4-2-1-3-18(20)22-19-10-5-14(23(29)26-16-12-30-13-16)11-21(19)28(27-22)17-8-6-15(25)7-9-17/h1-11,16H,12-13H2,(H,26,29)
InChIKeyWRWWIBRHHZPZEE-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.61
Rot. Bonds4

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

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide (PubChem CID 134522059) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
PubChem CID134522059
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
SMILESO=C(NC1COC1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H17ClFN3O2/c24-20-4-2-1-3-18(20)22-19-10-5-14(23(29)26-16-12-30-13-16)11-21(19)28(27-22)17-8-6-15(25)7-9-17/h1-11,16H,12-13H2,(H,26,29)
InChIKeyWRWWIBRHHZPZEE-UHFFFAOYSA-N
XLogP4.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.61
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-(oxetan-3-yl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide (CID 134522059) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide is O=C(NC1COC1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide?
The InChIKey is WRWWIBRHHZPZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-20-4-2-1-3-18(20)22-19-10-5-14(23(29)26-16-12-30-13-16)11-21(19)28(27-22)17-8-6-15(25)7-9-17/h1-11,16H,12-13H2,(H,26,29).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide has a molecular weight of 421.86 g/mol, XLogP of 4.61, 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-(oxetan-3-yl)indazole-6-carboxamide is sourced from PubChem (CID 134522059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).