(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone

C21H22FN3O2 — CID 170530614

IUPAC(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone
SMILESCOc1ccc(-n2nc(C)c3cc(C(=O)N4CCC(F)CC4)ccc32)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-19-13-15(21(26)24-11-9-16(22)10-12-24)3-8-20(19)25(23-14)17-4-6-18(27-2)7-5-17/h3-8,13,16H,9-12H2,1-2H3
InChIKeyUIOVWWGMYDXZRZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.92
Rot. Bonds3

About (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone

(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone (PubChem CID 170530614) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone
PubChem CID170530614
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone
SMILESCOc1ccc(-n2nc(C)c3cc(C(=O)N4CCC(F)CC4)ccc32)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-19-13-15(21(26)24-11-9-16(22)10-12-24)3-8-20(19)25(23-14)17-4-6-18(27-2)7-5-17/h3-8,13,16H,9-12H2,1-2H3
InChIKeyUIOVWWGMYDXZRZ-UHFFFAOYSA-N
XLogP3.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone (CID 170530614) is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone is COc1ccc(-n2nc(C)c3cc(C(=O)N4CCC(F)CC4)ccc32)cc1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone?
The InChIKey is UIOVWWGMYDXZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-19-13-15(21(26)24-11-9-16(22)10-12-24)3-8-20(19)25(23-14)17-4-6-18(27-2)7-5-17/h3-8,13,16H,9-12H2,1-2H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone has a molecular weight of 367.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylindazol-5-yl]methanone is sourced from PubChem (CID 170530614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).