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

C25H30FN3O — CID 25160321

IUPAC5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2cn[nH]c12
InChIInChI=1S/C25H30FN3O/c1-17(23-14-19(18-3-4-18)13-20-15-27-28-24(20)23)30-16-25(9-11-29(2)12-10-25)21-5-7-22(26)8-6-21/h5-8,13-15,17-18H,3-4,9-12,16H2,1-2H3,(H,27,28)
InChIKeyOINNVROSCICVQC-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.32
Rot. Bonds6

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

5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (PubChem CID 25160321) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.

Molecular Properties

Compound Name5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
PubChem CID25160321
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2cn[nH]c12
InChIInChI=1S/C25H30FN3O/c1-17(23-14-19(18-3-4-18)13-20-15-27-28-24(20)23)30-16-25(9-11-29(2)12-10-25)21-5-7-22(26)8-6-21/h5-8,13-15,17-18H,3-4,9-12,16H2,1-2H3,(H,27,28)
InChIKeyOINNVROSCICVQC-UHFFFAOYSA-N
XLogP5.32
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The IUPAC name of 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (CID 25160321) is 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.
What is the SMILES notation for 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The canonical SMILES for 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2cn[nH]c12.
What is the InChIKey of 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The InChIKey is OINNVROSCICVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-17(23-14-19(18-3-4-18)13-20-15-27-28-24(20)23)30-16-25(9-11-29(2)12-10-25)21-5-7-22(26)8-6-21/h5-8,13-15,17-18H,3-4,9-12,16H2,1-2H3,(H,27,28).
What are the key properties of 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole has a molecular weight of 407.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is sourced from PubChem (CID 25160321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).