5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole

C22H25ClFN3O — CID 25159409

IUPAC5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole
SMILESCCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C22H25ClFN3O/c1-2-20(19-12-17(23)11-15-13-26-27-21(15)19)28-14-22(7-9-25-10-8-22)16-3-5-18(24)6-4-16/h3-6,11-13,20,25H,2,7-10,14H2,1H3,(H,26,27)
InChIKeyUEMWAXOXABIRCQ-UHFFFAOYSA-N
MW401.91 g/mol
LogP5.14
Rot. Bonds6

About 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole

5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole (PubChem CID 25159409) has the molecular formula C22H25ClFN3O and a molecular weight of 401.91 g/mol. Its IUPAC name is 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole.

Molecular Properties

Compound Name5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole
PubChem CID25159409
Molecular FormulaC22H25ClFN3O
Molecular Weight401.91 g/mol
Exact Mass401.17
IUPAC Name5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole
SMILESCCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C22H25ClFN3O/c1-2-20(19-12-17(23)11-15-13-26-27-21(15)19)28-14-22(7-9-25-10-8-22)16-3-5-18(24)6-4-16/h3-6,11-13,20,25H,2,7-10,14H2,1H3,(H,26,27)
InChIKeyUEMWAXOXABIRCQ-UHFFFAOYSA-N
XLogP5.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.91
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole?
The IUPAC name of 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole (CID 25159409) is 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole.
What is the SMILES notation for 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole?
The canonical SMILES for 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole is CCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole?
The InChIKey is UEMWAXOXABIRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O/c1-2-20(19-12-17(23)11-15-13-26-27-21(15)19)28-14-22(7-9-25-10-8-22)16-3-5-18(24)6-4-16/h3-6,11-13,20,25H,2,7-10,14H2,1H3,(H,26,27).
What are the key properties of 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole?
5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole has a molecular weight of 401.91 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]propyl]-1H-indazole is sourced from PubChem (CID 25159409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).