5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide

C24H30F3N5O5S — CID 146286513

IUPAC5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CCC(F)(F)F)cc1OC
InChIInChI=1S/C24H30F3N5O5S/c1-4-19-31-20(22(33)30-14-23(34)8-6-16(7-9-23)38(3,35)36)17(12-28)32(19)21-18(37-2)11-15(13-29-21)5-10-24(25,26)27/h11,13,16,34H,4-10,14H2,1-3H3,(H,30,33)
InChIKeyLAYCMWCAQAMTJX-UHFFFAOYSA-N
MW557.60 g/mol
LogP2.65
Rot. Bonds9

About 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide

5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 146286513) has the molecular formula C24H30F3N5O5S and a molecular weight of 557.60 g/mol. Its IUPAC name is 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID146286513
Molecular FormulaC24H30F3N5O5S
Molecular Weight557.60 g/mol
Exact Mass557.19
IUPAC Name5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CCC(F)(F)F)cc1OC
InChIInChI=1S/C24H30F3N5O5S/c1-4-19-31-20(22(33)30-14-23(34)8-6-16(7-9-23)38(3,35)36)17(12-28)32(19)21-18(37-2)11-15(13-29-21)5-10-24(25,26)27/h11,13,16,34H,4-10,14H2,1-3H3,(H,30,33)
InChIKeyLAYCMWCAQAMTJX-UHFFFAOYSA-N
XLogP2.65
TPSA147.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.60
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

US11345666, Example 58
CID 146286483
US11345666, Example 54
CID 146286485
US11345666, Example 59
CID 146286490
US11345666, Example 60
CID 146286492
US11345666, Example 133
CID 146286493
US11345666, Example 119
CID 146286506
US11345666, Example 122
CID 146286508
US11345666, Example 121
CID 146286509
US11345666, Example 24
CID 146286515
US11345666, Example 25
CID 146286517
US11345666, Example 117
CID 146286518
US11345666, Example 123
CID 146286519

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide (CID 146286513) is 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CCC(F)(F)F)cc1OC.
What is the InChIKey of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is LAYCMWCAQAMTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O5S/c1-4-19-31-20(22(33)30-14-23(34)8-6-16(7-9-23)38(3,35)36)17(12-28)32(19)21-18(37-2)11-15(13-29-21)5-10-24(25,26)27/h11,13,16,34H,4-10,14H2,1-3H3,(H,30,33).
What are the key properties of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide?
5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 557.60 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoropropyl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).