1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C23H21F3N4O — CID 25206137

IUPAC1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCN(C)CCn1ncc2cc(-n3ccc(-c4ccc(C(F)(F)F)cc4)cc3=O)ccc21
InChIInChI=1S/C23H21F3N4O/c1-28(2)11-12-30-21-8-7-20(13-18(21)15-27-30)29-10-9-17(14-22(29)31)16-3-5-19(6-4-16)23(24,25)26/h3-10,13-15H,11-12H2,1-2H3
InChIKeyNLINPVUZNLTFKH-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.43
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 25206137) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID25206137
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC Name1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCN(C)CCn1ncc2cc(-n3ccc(-c4ccc(C(F)(F)F)cc4)cc3=O)ccc21
InChIInChI=1S/C23H21F3N4O/c1-28(2)11-12-30-21-8-7-20(13-18(21)15-27-30)29-10-9-17(14-22(29)31)16-3-5-19(6-4-16)23(24,25)26/h3-10,13-15H,11-12H2,1-2H3
InChIKeyNLINPVUZNLTFKH-UHFFFAOYSA-N
XLogP4.43
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 162337660
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719398
1-[1-[2-[(4S)-2-oxa-1-azabicyclo[2.2.1]heptan-5-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 66719139
4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25205153
4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 87122633
4-(4-isocyanophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 158339669
1-[3-(hydroxymethyl)quinolin-7-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25022636
1-quinolin-7-yl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25022631
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 159614328
4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 66719155
4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 159495335
1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one
CID 71039149

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 25206137) is 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is CN(C)CCn1ncc2cc(-n3ccc(-c4ccc(C(F)(F)F)cc4)cc3=O)ccc21.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is NLINPVUZNLTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c1-28(2)11-12-30-21-8-7-20(13-18(21)15-27-30)29-10-9-17(14-22(29)31)16-3-5-19(6-4-16)23(24,25)26/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 426.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 25206137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).