6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one

C18H18F3N5O3S — CID 163234438

IUPAC6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCS(=O)(=O)N1CCN(c2ccc3nn(-c4cc(C(F)(F)F)cc(=O)[nH]4)cc3c2)CC1
InChIInChI=1S/C18H18F3N5O3S/c1-30(28,29)25-6-4-24(5-7-25)14-2-3-15-12(8-14)11-26(23-15)16-9-13(18(19,20)21)10-17(27)22-16/h2-3,8-11H,4-7H2,1H3,(H,22,27)
InChIKeyHGHVECAAINNKSK-UHFFFAOYSA-N
MW441.44 g/mol
LogP1.81
Rot. Bonds3

About 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one

6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 163234438) has the molecular formula C18H18F3N5O3S and a molecular weight of 441.44 g/mol. Its IUPAC name is 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID163234438
Molecular FormulaC18H18F3N5O3S
Molecular Weight441.44 g/mol
Exact Mass441.11
IUPAC Name6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCS(=O)(=O)N1CCN(c2ccc3nn(-c4cc(C(F)(F)F)cc(=O)[nH]4)cc3c2)CC1
InChIInChI=1S/C18H18F3N5O3S/c1-30(28,29)25-6-4-24(5-7-25)14-2-3-15-12(8-14)11-26(23-15)16-9-13(18(19,20)21)10-17(27)22-16/h2-3,8-11H,4-7H2,1H3,(H,22,27)
InChIKeyHGHVECAAINNKSK-UHFFFAOYSA-N
XLogP1.81
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
3-[5-(4-methylsulfonylpiperazin-1-yl)-1,3-benzoxazol-2-yl]-5-(trifluoromethyl)phenol
CID 163235013
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
CID 163234279
6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
CID 67206897
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
2-(4-methylsulfonylpiperazin-1-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
CID 72700154
9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 162512367
1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
CID 20595837
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756188
(3aS,6aR)-3a,6a-dimethyl-5-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 146613422
2-fluoro-5-[1-methyl-6-(4-methylsulfonylpiperazin-1-yl)indazol-3-yl]-3-(trifluoromethyl)phenol
CID 171048612
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 163234438) is 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one is CS(=O)(=O)N1CCN(c2ccc3nn(-c4cc(C(F)(F)F)cc(=O)[nH]4)cc3c2)CC1.
What is the InChIKey of 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is HGHVECAAINNKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3S/c1-30(28,29)25-6-4-24(5-7-25)14-2-3-15-12(8-14)11-26(23-15)16-9-13(18(19,20)21)10-17(27)22-16/h2-3,8-11H,4-7H2,1H3,(H,22,27).
What are the key properties of 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 441.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methylsulfonylpiperazin-1-yl)indazol-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 163234438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).