5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole

C22H25F2N3O — CID 57484121

IUPAC5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(N3CCCCC3)cc21
InChIInChI=1S/C22H25F2N3O/c1-15(2)14-27-19-12-20(26-8-4-3-5-9-26)22(10-16(19)13-25-27)28-21-7-6-17(23)11-18(21)24/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3
InChIKeyUWQFFQKBBGNFNI-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.75
Rot. Bonds5

About 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole

5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole (PubChem CID 57484121) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole
PubChem CID57484121
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(N3CCCCC3)cc21
InChIInChI=1S/C22H25F2N3O/c1-15(2)14-27-19-12-20(26-8-4-3-5-9-26)22(10-16(19)13-25-27)28-21-7-6-17(23)11-18(21)24/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3
InChIKeyUWQFFQKBBGNFNI-UHFFFAOYSA-N
XLogP5.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzylpiperidin-3-yloxy)-1H-indazole
CID 44421889
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
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5-(3-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830801
4-[2-Cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine
CID 175435824
2-Cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole
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1-(4-Phenoxybutyl)indazole
CID 20425662
2-[2-[4-(2-Fluorophenoxy)piperidin-1-yl]ethyl]indazole
CID 29023178
2-[2-[4-(3-Fluorophenoxy)piperidin-1-yl]ethyl]indazole
CID 29069062
CID 134805747
CID 134805747
(2S)-2-[(3,4-difluorophenoxy)methyl]-4-[(1-methylindazol-5-yl)methyl]morpholine
CID 171355750
CID 134808769
CID 134808769
8-Ethoxy-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2136467

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole?
The IUPAC name of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole (CID 57484121) is 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole?
The canonical SMILES for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(N3CCCCC3)cc21.
What is the InChIKey of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole?
The InChIKey is UWQFFQKBBGNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-15(2)14-27-19-12-20(26-8-4-3-5-9-26)22(10-16(19)13-25-27)28-21-7-6-17(23)11-18(21)24/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3.
What are the key properties of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole?
5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole has a molecular weight of 385.46 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole is sourced from PubChem (CID 57484121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).