1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

C21H17N3O — CID 129052062

IUPAC1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESC=Cc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C21H17N3O/c1-2-15-5-3-4-6-18(15)13-24-14-19(9-10-21(24)25)16-7-8-17-12-22-23-20(17)11-16/h2-12,14H,1,13H2,(H,22,23)
InChIKeyMPLWUPKGUCZLKJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.08
Rot. Bonds4

About 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (PubChem CID 129052062) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
PubChem CID129052062
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESC=Cc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C21H17N3O/c1-2-15-5-3-4-6-18(15)13-24-14-19(9-10-21(24)25)16-7-8-17-12-22-23-20(17)11-16/h2-12,14H,1,13H2,(H,22,23)
InChIKeyMPLWUPKGUCZLKJ-UHFFFAOYSA-N
XLogP4.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Mkk7-cov-2
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(E)-3-[4-[(6R,8R)-8-methyl-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
CID 134610856
(E)-3-[4-[(6R,8R)-7-(2-fluoro-2-methylpropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
CID 155539747
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11687579
1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 22933424
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 50997019
(E)-3-[4-[(E)-1-(4-methyl-1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 56941820
(E)-3-[4-[(E)-1-(6-methyl-1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 56941822
(E)-3-[4-[(E)-1-(1H-indazol-6-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66800285

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The IUPAC name of 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (CID 129052062) is 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is C=Cc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O.
What is the InChIKey of 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The InChIKey is MPLWUPKGUCZLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-2-15-5-3-4-6-18(15)13-24-14-19(9-10-21(24)25)16-7-8-17-12-22-23-20(17)11-16/h2-12,14H,1,13H2,(H,22,23).
What are the key properties of 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one has a molecular weight of 327.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethenylphenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is sourced from PubChem (CID 129052062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).