3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide

C23H24ClF3N6O4S2 — CID 122509025

IUPAC3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCc1cocc1C(=O)n1nc(C2CN(S(=O)(=O)N(C)C)CCC2C(F)(F)F)c(C#N)c1NCc1ccc(Cl)s1
InChIInChI=1S/C23H24ClF3N6O4S2/c1-13-11-37-12-17(13)22(34)33-21(29-9-14-4-5-19(24)38-14)15(8-28)20(30-33)16-10-32(39(35,36)31(2)3)7-6-18(16)23(25,26)27/h4-5,11-12,16,18,29H,6-7,9-10H2,1-3H3
InChIKeyDDJFUSYFBXGDAI-UHFFFAOYSA-N
MW605.06 g/mol
LogP4.45
Rot. Bonds7

About 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide

3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide (PubChem CID 122509025) has the molecular formula C23H24ClF3N6O4S2 and a molecular weight of 605.06 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
PubChem CID122509025
Molecular FormulaC23H24ClF3N6O4S2
Molecular Weight605.06 g/mol
Exact Mass604.09
IUPAC Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCc1cocc1C(=O)n1nc(C2CN(S(=O)(=O)N(C)C)CCC2C(F)(F)F)c(C#N)c1NCc1ccc(Cl)s1
InChIInChI=1S/C23H24ClF3N6O4S2/c1-13-11-37-12-17(13)22(34)33-21(29-9-14-4-5-19(24)38-14)15(8-28)20(30-33)16-10-32(39(35,36)31(2)3)7-6-18(16)23(25,26)27/h4-5,11-12,16,18,29H,6-7,9-10H2,1-3H3
InChIKeyDDJFUSYFBXGDAI-UHFFFAOYSA-N
XLogP4.45
TPSA124.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.06
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide with MolForge

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Related Compounds

1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 150750643
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(1-methylsulfonylazetidin-3-yl)pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 122508984
5-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-cyano-1-(3-hydroxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-N,N,4-trimethyl-2-oxopiperidine-1-carboxamide
CID 164945163
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 75813166
1-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-phenylpyrazol-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 86274353
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(1-methylsulfonylpyrrolidin-2-yl)pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 122508905
N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide
CID 11223972
[5-[(5-chlorothiophen-2-yl)methylamino]-3-(oxan-3-yl)-1,2,4-triazol-1-yl]-(2-methylfuran-3-yl)methanone
CID 122506888
3-[(5-chlorothiophen-2-yl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 43728256
[5-[(5-chlorothiophen-2-yl)methylamino]-3-piperidin-1-ium-4-ylpyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 152888843
5-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-1-[4-(hydroxymethyl)benzoyl]pyrazol-3-yl]-2-oxo-1-(pyridazin-4-ylmethyl)pyridine-3-carbonitrile
CID 118959626
5-[(5-chlorothiophen-2-yl)methylamino]-3-[6-oxo-5-(2-phenylethynyl)-1-(1,2-thiazol-4-ylmethyl)-3-pyridinyl]-1-(thiophene-3-carbonyl)pyrazole-4-carbonitrile
CID 145048449

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide (CID 122509025) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide is Cc1cocc1C(=O)n1nc(C2CN(S(=O)(=O)N(C)C)CCC2C(F)(F)F)c(C#N)c1NCc1ccc(Cl)s1.
What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide?
The InChIKey is DDJFUSYFBXGDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O4S2/c1-13-11-37-12-17(13)22(34)33-21(29-9-14-4-5-19(24)38-14)15(8-28)20(30-33)16-10-32(39(35,36)31(2)3)7-6-18(16)23(25,26)27/h4-5,11-12,16,18,29H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide?
3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide has a molecular weight of 605.06 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-4-cyano-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 122509025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).