5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C20H15F3N4O — CID 129052162

IUPAC5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)15-3-1-2-12(8-15)10-27-11-14(5-7-18(27)28)13-4-6-16-17(9-13)25-26-19(16)24/h1-9,11H,10H2,(H3,24,25,26)
InChIKeyHUFOBMZPSQAJRA-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.04
Rot. Bonds3

About 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 129052162) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID129052162
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)15-3-1-2-12(8-15)10-27-11-14(5-7-18(27)28)13-4-6-16-17(9-13)25-26-19(16)24/h1-9,11H,10H2,(H3,24,25,26)
InChIKeyHUFOBMZPSQAJRA-UHFFFAOYSA-N
XLogP4.04
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
5-(3-Amino-1H-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one
CID 129052025
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11496743
N-[1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25252725
N-[(1S)-1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25253019
6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide
CID 90644662
6-(3-amino-1H-indazol-4-yl)-N-ethylnaphthalene-1-carboxamide
CID 90644671
6-(3-amino-1H-indazol-4-yl)-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 90644673
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 118879418
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 118879484
N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide
CID 122196199

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 129052162) is 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(C(F)(F)F)c4)c3)ccc12.
What is the InChIKey of 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is HUFOBMZPSQAJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-20(22,23)15-3-1-2-12(8-15)10-27-11-14(5-7-18(27)28)13-4-6-16-17(9-13)25-26-19(16)24/h1-9,11H,10H2,(H3,24,25,26).
What are the key properties of 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 384.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-indazol-6-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 129052162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).