3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole

C22H24Cl2FN3O — CID 25134302

IUPAC3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
SMILESC[C@@H](OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2c(Cl)[nH]nc12
InChIInChI=1S/C22H24Cl2FN3O/c1-14(18-11-16(23)12-19-20(18)26-27-21(19)24)29-13-22(7-9-28(2)10-8-22)15-3-5-17(25)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,26,27)/t14-/m1/s1
InChIKeyYYGGHKQVJFSPPM-CQSZACIVSA-N
MW436.36 g/mol
LogP5.75
Rot. Bonds5

About 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole

3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole (PubChem CID 25134302) has the molecular formula C22H24Cl2FN3O and a molecular weight of 436.36 g/mol. Its IUPAC name is 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole.

Molecular Properties

Compound Name3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
PubChem CID25134302
Molecular FormulaC22H24Cl2FN3O
Molecular Weight436.36 g/mol
Exact Mass435.13
IUPAC Name3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
SMILESC[C@@H](OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2c(Cl)[nH]nc12
InChIInChI=1S/C22H24Cl2FN3O/c1-14(18-11-16(23)12-19-20(18)26-27-21(19)24)29-13-22(7-9-28(2)10-8-22)15-3-5-17(25)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,26,27)/t14-/m1/s1
InChIKeyYYGGHKQVJFSPPM-CQSZACIVSA-N
XLogP5.75
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.36
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
The IUPAC name of 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole (CID 25134302) is 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole.
What is the SMILES notation for 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
The canonical SMILES for 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole is C[C@@H](OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2c(Cl)[nH]nc12.
What is the InChIKey of 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
The InChIKey is YYGGHKQVJFSPPM-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24Cl2FN3O/c1-14(18-11-16(23)12-19-20(18)26-27-21(19)24)29-13-22(7-9-28(2)10-8-22)15-3-5-17(25)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,26,27)/t14-/m1/s1.
What are the key properties of 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole has a molecular weight of 436.36 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-7-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole is sourced from PubChem (CID 25134302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).