5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole

C13H16FN3O — CID 139581403

IUPAC5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole
SMILESCn1ncc2cc(OC3CCNCC3F)ccc21
InChIInChI=1S/C13H16FN3O/c1-17-12-3-2-10(6-9(12)7-16-17)18-13-4-5-15-8-11(13)14/h2-3,6-7,11,13,15H,4-5,8H2,1H3
InChIKeyKMPZLJZRBIXQFI-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.65
Rot. Bonds2

About 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole

5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole (PubChem CID 139581403) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole.

Molecular Properties

Compound Name5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole
PubChem CID139581403
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole
SMILESCn1ncc2cc(OC3CCNCC3F)ccc21
InChIInChI=1S/C13H16FN3O/c1-17-12-3-2-10(6-9(12)7-16-17)18-13-4-5-15-8-11(13)14/h2-3,6-7,11,13,15H,4-5,8H2,1H3
InChIKeyKMPZLJZRBIXQFI-UHFFFAOYSA-N
XLogP1.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyloxy-1-methylindazole
CID 130057460
3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine
CID 129278225
[4-chloro-6-[(3R,4S)-3-fluoro-4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
CID 139581399
3-[(3R,4R)-3-fluoropiperidin-4-yl]oxybenzonitrile
CID 129278036
5-(difluoromethoxy)-1-methylindazole
CID 141364933
5-(2-bromoethoxy)-1-methylindazole
CID 168998456
2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine
CID 129278174
1-methylindazole-5-carbonitrile
CID 10583041
2-(1-methylindazol-5-yl)oxyacetic acid
CID 84673968
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[8-(3-fluoropiperidin-4-yl)oxy-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-2-ol
CID 175293154
2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 174252114
2-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-5-[4-[[5-(hydroxymethyl)-1-methylpyrazol-4-yl]amino]-1,3,5-triazin-2-yl]benzonitrile
CID 118980343

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole?
The IUPAC name of 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole (CID 139581403) is 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole.
What is the SMILES notation for 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole?
The canonical SMILES for 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole is Cn1ncc2cc(OC3CCNCC3F)ccc21.
What is the InChIKey of 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole?
The InChIKey is KMPZLJZRBIXQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-12-3-2-10(6-9(12)7-16-17)18-13-4-5-15-8-11(13)14/h2-3,6-7,11,13,15H,4-5,8H2,1H3.
What are the key properties of 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole?
5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole has a molecular weight of 249.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole is sourced from PubChem (CID 139581403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).