6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one

C24H32FN5O3S — CID 137478248

IUPAC6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one
SMILESCCn1ncc2c(F)cc(-c3ccc(C(CN4CCN(S(C)(=O)=O)CC4)C(C)C)c(=O)[nH]3)cc21
InChIInChI=1S/C24H32FN5O3S/c1-5-30-23-13-17(12-21(25)19(23)14-26-30)22-7-6-18(24(31)27-22)20(16(2)3)15-28-8-10-29(11-9-28)34(4,32)33/h6-7,12-14,16,20H,5,8-11,15H2,1-4H3,(H,27,31)
InChIKeyXAKDXSJGNLNELZ-UHFFFAOYSA-N
MW489.62 g/mol
LogP2.87
Rot. Bonds7

About 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one

6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one (PubChem CID 137478248) has the molecular formula C24H32FN5O3S and a molecular weight of 489.62 g/mol. Its IUPAC name is 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one
PubChem CID137478248
Molecular FormulaC24H32FN5O3S
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC Name6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one
SMILESCCn1ncc2c(F)cc(-c3ccc(C(CN4CCN(S(C)(=O)=O)CC4)C(C)C)c(=O)[nH]3)cc21
InChIInChI=1S/C24H32FN5O3S/c1-5-30-23-13-17(12-21(25)19(23)14-26-30)22-7-6-18(24(31)27-22)20(16(2)3)15-28-8-10-29(11-9-28)34(4,32)33/h6-7,12-14,16,20H,5,8-11,15H2,1-4H3,(H,27,31)
InChIKeyXAKDXSJGNLNELZ-UHFFFAOYSA-N
XLogP2.87
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
CID 91668213
3-[4-[[(2S)-2-(methanesulfonamido)propyl]amino]-6-methylindazol-1-yl]-N-propan-2-ylbenzamide
CID 53324954
US10807982, Example 64
CID 122623582
US10807982, Example 104
CID 122623612
US10807982, Example 66
CID 122623696
US10807982, Example 43
CID 126600960
US11787780, Example 7
CID 163477644
US10807982, Example 42
CID 122623746
6-(5-(4-(Methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-4-(trifluoromethyl)pyridin-2-ol
CID 163233825
6-(5-(4-(Methylsulfonyl)piperazin-1-yl)-2H-indazol-2-yl)-4-(trifluoromethyl)pyridin-2-ol
CID 163234438
5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 126803336
1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide
CID 66917016

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one (CID 137478248) is 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one is CCn1ncc2c(F)cc(-c3ccc(C(CN4CCN(S(C)(=O)=O)CC4)C(C)C)c(=O)[nH]3)cc21.
What is the InChIKey of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one?
The InChIKey is XAKDXSJGNLNELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O3S/c1-5-30-23-13-17(12-21(25)19(23)14-26-30)22-7-6-18(24(31)27-22)20(16(2)3)15-28-8-10-29(11-9-28)34(4,32)33/h6-7,12-14,16,20H,5,8-11,15H2,1-4H3,(H,27,31).
What are the key properties of 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one?
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one has a molecular weight of 489.62 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137478248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).