amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate

C110H142Cl2F12N15O18S- — CID 157279522

IUPACamino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
SMILESC.C.C.C.CC1CCC(C(=O)N(c2ccc(Oc3ncc(CNS(=O)(=O)C4CC4)cc3C(F)(F)F)cc2C(=O)O)C(C)C)CC1.COC(=O)c1cc(Oc2ncc(CCl)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.COC(=O)c1cc(Oc2ncc(CN(Cl)[N-]N)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.COC(=O)c1cc(Oc2ncc(CN=[N+]=[N-])cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C28H34F3N3O6S.C26H32ClF3N5O4.C26H30ClF3N2O4.C26H30F3N5O4.4CH4/c1-16(2)34(26(35)19-6-4-17(3)5-7-19)24-11-8-20(13-22(24)27(36)37)40-25-23(28(29,30)31)12-18(14-32-25)15-33-41(38,39)21-9-10-21;1-15(2)35(24(36)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(37)38-4)39-23-21(26(28,29)30)11-17(13-32-23)14-34(27)33-31;1-15(2)32(24(33)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(34)35-4)36-23-21(26(28,29)30)11-17(13-27)14-31-23;1-15(2)34(24(35)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(36)37-4)38-23-21(26(27,28)29)11-17(13-31-23)14-32-33-30;;;;/h8,11-14,16-17,19,21,33H,4-7,9-10,15H2,1-3H3,(H,36,37);9-13,15-16,18H,5-8,14,31H2,1-4H3;9-12,14-16,18H,5-8,13H2,1-4H3;9-13,15-16,18H,5-8,14H2,1-4H3;4*1H4/q;-1;;;;;;
InChIKeyIUGQLEOCBVTUOD-UHFFFAOYSA-N
MW2293.38 g/mol
LogP28.69
Rot. Bonds34

About amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate

amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate (PubChem CID 157279522) has the molecular formula C110H142Cl2F12N15O18S- and a molecular weight of 2293.38 g/mol. Its IUPAC name is amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate.

Molecular Properties

Compound Nameamino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
PubChem CID157279522
Molecular FormulaC110H142Cl2F12N15O18S-
Molecular Weight2293.38 g/mol
Exact Mass2290.96
IUPAC Nameamino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
SMILESC.C.C.C.CC1CCC(C(=O)N(c2ccc(Oc3ncc(CNS(=O)(=O)C4CC4)cc3C(F)(F)F)cc2C(=O)O)C(C)C)CC1.COC(=O)c1cc(Oc2ncc(CCl)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.COC(=O)c1cc(Oc2ncc(CN(Cl)[N-]N)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.COC(=O)c1cc(Oc2ncc(CN=[N+]=[N-])cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C28H34F3N3O6S.C26H32ClF3N5O4.C26H30ClF3N2O4.C26H30F3N5O4.4CH4/c1-16(2)34(26(35)19-6-4-17(3)5-7-19)24-11-8-20(13-22(24)27(36)37)40-25-23(28(29,30)31)12-18(14-32-25)15-33-41(38,39)21-9-10-21;1-15(2)35(24(36)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(37)38-4)39-23-21(26(28,29)30)11-17(13-32-23)14-34(27)33-31;1-15(2)32(24(33)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(34)35-4)36-23-21(26(28,29)30)11-17(13-27)14-31-23;1-15(2)34(24(35)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(36)37-4)38-23-21(26(27,28)29)11-17(13-31-23)14-32-33-30;;;;/h8,11-14,16-17,19,21,33H,4-7,9-10,15H2,1-3H3,(H,36,37);9-13,15-16,18H,5-8,14,31H2,1-4H3;9-12,14-16,18H,5-8,13H2,1-4H3;9-13,15-16,18H,5-8,14H2,1-4H3;4*1H4/q;-1;;;;;;
InChIKeyIUGQLEOCBVTUOD-UHFFFAOYSA-N
XLogP28.69
TPSA424.21 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002293.38
LogP ≤ 528.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[(Cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)pyridin-2-yl]oxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid
CID 59665155
5-[[5-[[(2-Chloro-6-methyl-3-pyridinyl)amino]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 157378365
2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate;methyl 5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[[(2S)-1-methoxypropan-2-yl]-(4-methylcyclohexanecarbonyl)amino]benzoate;methyl 4-fluoro-5-hydroxy-2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
CID 157870208
Amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[[ethoxycarbonyl(methyl)amino]methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid
CID 158060810
2-[1,3-Bis(prop-2-enoxy)propan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;2-[1,3-dipropoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-bis(prop-2-enoxy)propan-2-ylamino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[1,3-bis(prop-2-enoxy)propan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-(1,3-dihydroxypropan-2-ylamino)-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 158362730
Amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-[(propan-2-ylcarbamoylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 158405511
5-[[5-[2-(3,3-Difluoropiperidin-1-yl)ethyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-(2-oxoethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 158716228
2-[(4-Methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(pyridin-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]benzoate;methyl 2-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(pyridin-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 158728054
2-Chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[(4-cyclopropyloxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate;methyl 2-[(4-ethenoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-methylbenzoate
CID 159465145
amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide;2-[2-methoxycarbonyl-N-(4-methylcyclohexanecarbonyl)-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]acetic acid;2-[(4-methylcyclohexanecarbonyl)-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[(4-methylcyclohexanecarbonyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 159560776
Amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(ethoxycarbonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid
CID 160030756
2-Chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)pyridine;5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]benzoic acid;methyl 5-[[5-[(3,3-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]benzoate;methyl 5-hydroxy-2-[(4-methoxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]benzoate
CID 160282441

Frequently Asked Questions

What is the IUPAC name of amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The IUPAC name of amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate (CID 157279522) is amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate.
What is the SMILES notation for amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The canonical SMILES for amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate is C.C.C.C.CC1CCC(C(=O)N(c2ccc(Oc3ncc(CNS(=O)(=O)C4CC4)cc3C(F)(F)F)cc2C(=O)O)C(C)C)CC1.COC(=O)c1cc(Oc2ncc(CCl)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.COC(=O)c1cc(Oc2ncc(CN(Cl)[N-]N)cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.COC(=O)c1cc(Oc2ncc(CN=[N+]=[N-])cc2C(F)(F)F)ccc1N(C(=O)C1CCC(C)CC1)C(C)C.
What is the InChIKey of amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The InChIKey is IUGQLEOCBVTUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N3O6S.C26H32ClF3N5O4.C26H30ClF3N2O4.C26H30F3N5O4.4CH4/c1-16(2)34(26(35)19-6-4-17(3)5-7-19)24-11-8-20(13-22(24)27(36)37)40-25-23(28(29,30)31)12-18(14-32-25)15-33-41(38,39)21-9-10-21;1-15(2)35(24(36)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(37)38-4)39-23-21(26(28,29)30)11-17(13-32-23)14-34(27)33-31;1-15(2)32(24(33)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(34)35-4)36-23-21(26(28,29)30)11-17(13-27)14-31-23;1-15(2)34(24(35)18-7-5-16(3)6-8-18)22-10-9-19(12-20(22)25(36)37-4)38-23-21(26(27,28)29)11-17(13-31-23)14-32-33-30;;;;/h8,11-14,16-17,19,21,33H,4-7,9-10,15H2,1-3H3,(H,36,37);9-13,15-16,18H,5-8,14,31H2,1-4H3;9-12,14-16,18H,5-8,13H2,1-4H3;9-13,15-16,18H,5-8,14H2,1-4H3;4*1H4/q;-1;;;;;;.
What are the key properties of amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate has a molecular weight of 2293.38 g/mol, XLogP of 28.69, 34 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[chloro-[[6-[3-methoxycarbonyl-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]phenoxy]-5-(trifluoromethyl)-3-pyridinyl]methyl]amino]azanide;5-[[5-[(cyclopropylsulfonylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid;methane;methyl 5-[[5-(azidomethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate;methyl 5-[[5-(chloromethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate is sourced from PubChem (CID 157279522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).