5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole

C25H29ClFN3O — CID 25160326

IUPAC5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2c(C3CC3)[nH]nc12
InChIInChI=1S/C25H29ClFN3O/c1-16(21-13-19(26)14-22-23(17-3-4-17)28-29-24(21)22)31-15-25(9-11-30(2)12-10-25)18-5-7-20(27)8-6-18/h5-8,13-14,16-17H,3-4,9-12,15H2,1-2H3,(H,28,29)
InChIKeySSAUWPLNPVZYLP-UHFFFAOYSA-N
MW441.98 g/mol
LogP5.97
Rot. Bonds6

About 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole

5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole (PubChem CID 25160326) has the molecular formula C25H29ClFN3O and a molecular weight of 441.98 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
PubChem CID25160326
Molecular FormulaC25H29ClFN3O
Molecular Weight441.98 g/mol
Exact Mass441.20
IUPAC Name5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2c(C3CC3)[nH]nc12
InChIInChI=1S/C25H29ClFN3O/c1-16(21-13-19(26)14-22-23(17-3-4-17)28-29-24(21)22)31-15-25(9-11-30(2)12-10-25)18-5-7-20(27)8-6-18/h5-8,13-14,16-17H,3-4,9-12,15H2,1-2H3,(H,28,29)
InChIKeySSAUWPLNPVZYLP-UHFFFAOYSA-N
XLogP5.97
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.98
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
The IUPAC name of 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole (CID 25160326) is 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole.
What is the SMILES notation for 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
The canonical SMILES for 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2c(C3CC3)[nH]nc12.
What is the InChIKey of 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
The InChIKey is SSAUWPLNPVZYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN3O/c1-16(21-13-19(26)14-22-23(17-3-4-17)28-29-24(21)22)31-15-25(9-11-30(2)12-10-25)18-5-7-20(27)8-6-18/h5-8,13-14,16-17H,3-4,9-12,15H2,1-2H3,(H,28,29).
What are the key properties of 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole?
5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole has a molecular weight of 441.98 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-2H-indazole is sourced from PubChem (CID 25160326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).