N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide

C27H33F5N6O4 — CID 171790435

IUPACN-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1conc1C(=O)N[C@H](C(=O)Nc1cc(C(C(C)C)N2C[C@@H](C(F)(F)F)NC2=O)ccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C27H33F5N6O4/c1-4-15-13-42-37-21(15)24(40)36-20(16-5-8-26(28,29)9-6-16)23(39)35-19-11-17(7-10-33-19)22(14(2)3)38-12-18(27(30,31)32)34-25(38)41/h7,10-11,13-14,16,18,20,22H,4-6,8-9,12H2,1-3H3,(H,34,41)(H,36,40)(H,33,35,39)/t18-,20-,22?/m0/s1
InChIKeyMPFKXDJNJLIWDM-LCODYBDSSA-N
MW600.59 g/mol
LogP4.85
Rot. Bonds9

About N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide

N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 171790435) has the molecular formula C27H33F5N6O4 and a molecular weight of 600.59 g/mol. Its IUPAC name is N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
PubChem CID171790435
Molecular FormulaC27H33F5N6O4
Molecular Weight600.59 g/mol
Exact Mass600.25
IUPAC NameN-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1conc1C(=O)N[C@H](C(=O)Nc1cc(C(C(C)C)N2C[C@@H](C(F)(F)F)NC2=O)ccn1)C1CCC(F)(F)CC1
InChIInChI=1S/C27H33F5N6O4/c1-4-15-13-42-37-21(15)24(40)36-20(16-5-8-26(28,29)9-6-16)23(39)35-19-11-17(7-10-33-19)22(14(2)3)38-12-18(27(30,31)32)34-25(38)41/h7,10-11,13-14,16,18,20,22H,4-6,8-9,12H2,1-3H3,(H,34,41)(H,36,40)(H,33,35,39)/t18-,20-,22?/m0/s1
InChIKeyMPFKXDJNJLIWDM-LCODYBDSSA-N
XLogP4.85
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.59
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

3-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]-1,2-oxazole-4-carboxamide
CID 171790532
4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 171790666
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 171790788
N-[(R)-(3,3-difluorocyclohexyl)-[5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1,3-benzoxazol-2-yl]methyl]-4-ethyl-1,2-oxazole-3-carboxamide
CID 176766163
N-[(1S)-1-[(1S,5S)-3-bicyclo[3.1.0]hexanyl]-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 177253658
N-[(1S)-1-(4-chloro-3-methylphenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
CID 178028431
N-[(1R)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(3S,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 171791037
N-[(1R)-1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[[(3S,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]ethyl]-5-ethyl-1,2-oxazole-4-carboxamide
CID 171790891
4-cyclopropyl-N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-1-(5-methyl-2-oxo-1H-imidazol-3-yl)ethyl]-2-pyridinyl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 171790431
N-[1-(4,4-difluorocyclohexyl)-2-oxo-2-[[4-[3,3,3-trifluoro-1-(4,4,4-trifluorobutanoylamino)propyl]-2-pyridinyl]amino]ethyl]-4-ethyl-1,2-oxazole-5-carboxamide
CID 171790393
2,2-difluoro-N-[2-[[4-[2-methoxy-1-[(4R)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 171790875
N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide
CID 171790493

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide (CID 171790435) is N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide is CCc1conc1C(=O)N[C@H](C(=O)Nc1cc(C(C(C)C)N2C[C@@H](C(F)(F)F)NC2=O)ccn1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is MPFKXDJNJLIWDM-LCODYBDSSA-N. The full InChI is InChI=1S/C27H33F5N6O4/c1-4-15-13-42-37-21(15)24(40)36-20(16-5-8-26(28,29)9-6-16)23(39)35-19-11-17(7-10-33-19)22(14(2)3)38-12-18(27(30,31)32)34-25(38)41/h7,10-11,13-14,16,18,20,22H,4-6,8-9,12H2,1-3H3,(H,34,41)(H,36,40)(H,33,35,39)/t18-,20-,22?/m0/s1.
What are the key properties of N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide?
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 600.59 g/mol, XLogP of 4.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1R)-2-methyl-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171790435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).