1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one

C22H22FN3O2 — CID 155667197

IUPAC1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(n2cc3cc(-c4c(F)cccc4OC)ccc3n2)CC1
InChIInChI=1S/C22H22FN3O2/c1-3-21(27)25-11-9-17(10-12-25)26-14-16-13-15(7-8-19(16)24-26)22-18(23)5-4-6-20(22)28-2/h3-8,13-14,17H,1,9-12H2,2H3
InChIKeyZAXPEJUFCWFWCK-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.20
Rot. Bonds4

About 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one

1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 155667197) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID155667197
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(n2cc3cc(-c4c(F)cccc4OC)ccc3n2)CC1
InChIInChI=1S/C22H22FN3O2/c1-3-21(27)25-11-9-17(10-12-25)26-14-16-13-15(7-8-19(16)24-26)22-18(23)5-4-6-20(22)28-2/h3-8,13-14,17H,1,9-12H2,2H3
InChIKeyZAXPEJUFCWFWCK-UHFFFAOYSA-N
XLogP4.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 155667182
1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 155667105
1-[4-[2-(2-fluoro-6-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166410765
1-[4-[4-[4-amino-5-(4-fluoro-3-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 155310720
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
1-[4-[[6-(2-chloro-3,5-dimethoxy-6-methylphenyl)quinazolin-2-yl]-[3-(dimethylamino)propyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 142295626
1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 135280472
6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-(1-prop-2-enoylpiperidin-3-yl)quinazolin-4-one
CID 126491907
3-indazol-2-yl-N-(4-methoxy-2,6-dimethyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 166281172
2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
CID 172889479
1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122601982
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one (CID 155667197) is 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(n2cc3cc(-c4c(F)cccc4OC)ccc3n2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is ZAXPEJUFCWFWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-3-21(27)25-11-9-17(10-12-25)26-14-16-13-15(7-8-19(16)24-26)22-18(23)5-4-6-20(22)28-2/h3-8,13-14,17H,1,9-12H2,2H3.
What are the key properties of 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 379.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 155667197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).