3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole

C22H17ClF2N2O2 — CID 91541039

IUPAC3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole
SMILESCCCOc1cc(Oc2ccc(F)cc2F)cc2[nH]nc(-c3ccccc3Cl)c12
InChIInChI=1S/C22H17ClF2N2O2/c1-2-9-28-20-12-14(29-19-8-7-13(24)10-17(19)25)11-18-21(20)22(27-26-18)15-5-3-4-6-16(15)23/h3-8,10-12H,2,9H2,1H3,(H,26,27)
InChIKeySLRHSNMQFGUURX-UHFFFAOYSA-N
MW414.84 g/mol
LogP6.74
Rot. Bonds6

About 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole

3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole (PubChem CID 91541039) has the molecular formula C22H17ClF2N2O2 and a molecular weight of 414.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole
PubChem CID91541039
Molecular FormulaC22H17ClF2N2O2
Molecular Weight414.84 g/mol
Exact Mass414.09
IUPAC Name3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole
SMILESCCCOc1cc(Oc2ccc(F)cc2F)cc2[nH]nc(-c3ccccc3Cl)c12
InChIInChI=1S/C22H17ClF2N2O2/c1-2-9-28-20-12-14(29-19-8-7-13(24)10-17(19)25)11-18-21(20)22(27-26-18)15-5-3-4-6-16(15)23/h3-8,10-12H,2,9H2,1H3,(H,26,27)
InChIKeySLRHSNMQFGUURX-UHFFFAOYSA-N
XLogP6.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.84
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole?
The IUPAC name of 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole (CID 91541039) is 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole?
The canonical SMILES for 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole is CCCOc1cc(Oc2ccc(F)cc2F)cc2[nH]nc(-c3ccccc3Cl)c12.
What is the InChIKey of 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole?
The InChIKey is SLRHSNMQFGUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O2/c1-2-9-28-20-12-14(29-19-8-7-13(24)10-17(19)25)11-18-21(20)22(27-26-18)15-5-3-4-6-16(15)23/h3-8,10-12H,2,9H2,1H3,(H,26,27).
What are the key properties of 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole?
3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole has a molecular weight of 414.84 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-propoxy-1H-indazole is sourced from PubChem (CID 91541039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).