N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H25F3N8O4S — CID 118173149

IUPACN-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)cnn1C
InChIInChI=1S/C25H25F3N8O4S/c1-16-21(13-29-33(16)2)41(39,40)36-10-8-34(9-11-36)23(37)15-35-14-17-12-18(6-7-19(17)32-35)30-24(38)20-4-3-5-22(31-20)25(26,27)28/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,38)
InChIKeyCGNFXZMBXPCAPX-UHFFFAOYSA-N
MW590.59 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173149) has the molecular formula C25H25F3N8O4S and a molecular weight of 590.59 g/mol. Its IUPAC name is N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173149
Molecular FormulaC25H25F3N8O4S
Molecular Weight590.59 g/mol
Exact Mass590.17
IUPAC NameN-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)cnn1C
InChIInChI=1S/C25H25F3N8O4S/c1-16-21(13-29-33(16)2)41(39,40)36-10-8-34(9-11-36)23(37)15-35-14-17-12-18(6-7-19(17)32-35)30-24(38)20-4-3-5-22(31-20)25(26,27)28/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,38)
InChIKeyCGNFXZMBXPCAPX-UHFFFAOYSA-N
XLogP2.28
TPSA135.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118160922
US9951086, Example 30
CID 118172870
US9951086, Example 20
CID 118172933
US9951086, Example 28
CID 118172944
US9951086, Example 1
CID 118172966
US9951086, Example 87
CID 118173145
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
N-(1-(4-fluorobenzyl)-6-(7-hydroxy-1-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-4-yl)ethanesulfonamide
CID 148928582
US10435396, Example 53
CID 137377455
[3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 24748866
[(3R)-4-[[4-fluoro-7-(triazol-2-yl)-1H-indol-3-yl]sulfonyl]-3-methyl-piperazin-1-yl]-phenyl-methanone
CID 24750402

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173149) is N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1c(S(=O)(=O)N2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)cnn1C.
What is the InChIKey of N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CGNFXZMBXPCAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O4S/c1-16-21(13-29-33(16)2)41(39,40)36-10-8-34(9-11-36)23(37)15-35-14-17-12-18(6-7-19(17)32-35)30-24(38)20-4-3-5-22(31-20)25(26,27)28/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,38).
What are the key properties of N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 590.59 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).