5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

C24H30ClF5N4O5S — CID 146286559

IUPAC5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(C[C@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H30ClF5N4O5S/c1-4-17-33-18(21(35)32-12-23(36)7-5-15(6-8-23)40(3,37)38)19(25)34(17)20-16(39-22(26)27)10-14(11-31-20)9-13(2)24(28,29)30/h10-11,13,15,22,36H,4-9,12H2,1-3H3,(H,32,35)/t13-,15?,23?/m0/s1
InChIKeyYTBQOHKDORGOTG-VXRDDMINSA-N
MW617.04 g/mol
LogP4.27
Rot. Bonds10

About 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 146286559) has the molecular formula C24H30ClF5N4O5S and a molecular weight of 617.04 g/mol. Its IUPAC name is 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
PubChem CID146286559
Molecular FormulaC24H30ClF5N4O5S
Molecular Weight617.04 g/mol
Exact Mass616.15
IUPAC Name5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(C[C@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H30ClF5N4O5S/c1-4-17-33-18(21(35)32-12-23(36)7-5-15(6-8-23)40(3,37)38)19(25)34(17)20-16(39-22(26)27)10-14(11-31-20)9-13(2)24(28,29)30/h10-11,13,15,22,36H,4-9,12H2,1-3H3,(H,32,35)/t13-,15?,23?/m0/s1
InChIKeyYTBQOHKDORGOTG-VXRDDMINSA-N
XLogP4.27
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.04
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide with MolForge

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Related Compounds

US11345666, Example 58
CID 146286483
US11345666, Example 132
CID 146286484
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 120
CID 146286513
US11345666, Example 123
CID 146286519
US11345666, Example 51
CID 146286532
US11345666, Example 2
CID 146286550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (CID 146286559) is 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(C[C@H](C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The InChIKey is YTBQOHKDORGOTG-VXRDDMINSA-N. The full InChI is InChI=1S/C24H30ClF5N4O5S/c1-4-17-33-18(21(35)32-12-23(36)7-5-15(6-8-23)40(3,37)38)19(25)34(17)20-16(39-22(26)27)10-14(11-31-20)9-13(2)24(28,29)30/h10-11,13,15,22,36H,4-9,12H2,1-3H3,(H,32,35)/t13-,15?,23?/m0/s1.
What are the key properties of 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 617.04 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-(difluoromethoxy)-5-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).