1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one

C21H20FN3O — CID 155667105

IUPAC1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(n2cc3ccc(-c4ccccc4F)cc3n2)C1
InChIInChI=1S/C21H20FN3O/c1-2-21(26)24-11-5-6-17(14-24)25-13-16-10-9-15(12-20(16)23-25)18-7-3-4-8-19(18)22/h2-4,7-10,12-13,17H,1,5-6,11,14H2
InChIKeyWTPONKZPRNUXMA-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.19
Rot. Bonds3

About 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one

1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 155667105) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID155667105
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(n2cc3ccc(-c4ccccc4F)cc3n2)C1
InChIInChI=1S/C21H20FN3O/c1-2-21(26)24-11-5-6-17(14-24)25-13-16-10-9-15(12-20(16)23-25)18-7-3-4-8-19(18)22/h2-4,7-10,12-13,17H,1,5-6,11,14H2
InChIKeyWTPONKZPRNUXMA-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73053055
3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73052743
1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 135280472
1-(1-prop-2-enoylpiperidin-3-yl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 123338652
1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 155667197
3-[4-(3-chlorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 123381274
1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole-4-carboxamide
CID 73051164
methane;3-[4-(3-methylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 160625479
3-[4-(3-chlorophenoxy)phenyl]-N-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 144571750
1-[3-[4-amino-3-[2-fluoro-4-(2-fluorobenzoyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 118493994
1-[(3S)-3-[3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 138539012
3-[4-(3-methylsulfonylphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 73051017

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one (CID 155667105) is 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC(n2cc3ccc(-c4ccccc4F)cc3n2)C1.
What is the InChIKey of 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is WTPONKZPRNUXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-2-21(26)24-11-5-6-17(14-24)25-13-16-10-9-15(12-20(16)23-25)18-7-3-4-8-19(18)22/h2-4,7-10,12-13,17H,1,5-6,11,14H2.
What are the key properties of 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one?
1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 349.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 155667105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).