1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide

C23H25F3N6O3S — CID 174139354

IUPAC1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide
SMILESCc1cc(C(F)(F)F)cnc1NC1CCN(S(=O)(=O)c2ccc(-c3cnc(C(N)=O)n3C)cc2)CC1
InChIInChI=1S/C23H25F3N6O3S/c1-14-11-16(23(24,25)26)12-28-21(14)30-17-7-9-32(10-8-17)36(34,35)18-5-3-15(4-6-18)19-13-29-22(20(27)33)31(19)2/h3-6,11-13,17H,7-10H2,1-2H3,(H2,27,33)(H,28,30)
InChIKeyIFNHVDAOCIMFIB-UHFFFAOYSA-N
MW522.55 g/mol
LogP3.17
Rot. Bonds6

About 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide

1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide (PubChem CID 174139354) has the molecular formula C23H25F3N6O3S and a molecular weight of 522.55 g/mol. Its IUPAC name is 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide
PubChem CID174139354
Molecular FormulaC23H25F3N6O3S
Molecular Weight522.55 g/mol
Exact Mass522.17
IUPAC Name1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide
SMILESCc1cc(C(F)(F)F)cnc1NC1CCN(S(=O)(=O)c2ccc(-c3cnc(C(N)=O)n3C)cc2)CC1
InChIInChI=1S/C23H25F3N6O3S/c1-14-11-16(23(24,25)26)12-28-21(14)30-17-7-9-32(10-8-17)36(34,35)18-5-3-15(4-6-18)19-13-29-22(20(27)33)31(19)2/h3-6,11-13,17H,7-10H2,1-2H3,(H2,27,33)(H,28,30)
InChIKeyIFNHVDAOCIMFIB-UHFFFAOYSA-N
XLogP3.17
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.55
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-1,3-dihydrobenzimidazol-2-one
CID 167479218
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
(3S,4R)-1-[4-(3,5-dimethyl-4-pyridinyl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 170282922
N-[(3S)-1-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]pyrrolidin-3-yl]acetamide
CID 170267045
N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 167479196
5-[4-[(3S,4R)-3-hydroxy-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4-methylpyridine-3-carboxamide
CID 170282911
2,2-dimethyl-6-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4H-1,4-benzoxazin-3-one
CID 167479308
1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one
CID 175591880
2-[3-cyano-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide
CID 167479265
N-[1-[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)phenyl]sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 167479216
(3S,4R)-1-[4-(6-methyl-1H-indazol-5-yl)phenyl]sulfonyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-3-ol
CID 167479097
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide (CID 174139354) is 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide is Cc1cc(C(F)(F)F)cnc1NC1CCN(S(=O)(=O)c2ccc(-c3cnc(C(N)=O)n3C)cc2)CC1.
What is the InChIKey of 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide?
The InChIKey is IFNHVDAOCIMFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3S/c1-14-11-16(23(24,25)26)12-28-21(14)30-17-7-9-32(10-8-17)36(34,35)18-5-3-15(4-6-18)19-13-29-22(20(27)33)31(19)2/h3-6,11-13,17H,7-10H2,1-2H3,(H2,27,33)(H,28,30).
What are the key properties of 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide?
1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide has a molecular weight of 522.55 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]imidazole-2-carboxamide is sourced from PubChem (CID 174139354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).