N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide

C147H146F6N18O21S2 — CID 172918396

IUPACN-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide
SMILESCC(=O)CNC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O.CC(=O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(C)=O)C1.CCc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C(=O)O.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1cnc(N)s1
InChIInChI=1S/C33H37N5O4.C30H37F3N2O2.C25H20F2N2O4.C23H23N5O5S2.C20H18N2O4.C16H11FN2O2/c1-5-23-12-11-22(15-27(23)33(41)42)18-38(21(4)31-36-17-29(37-31)24-9-7-6-8-10-24)32(40)28(34)16-26-19(2)13-25(30(35)39)14-20(26)3;1-4-23-15-25(11-12-26(23)16-35-17-27(18-35)21(3)36)20(2)34-37-19-22-10-13-28(24-8-6-5-7-9-24)29(14-22)30(31,32)33;1-14-6-9-21(28-22(14)17-5-3-4-16(12-17)15(2)30)29-23(31)24(10-11-24)18-7-8-19-20(13-18)33-25(26,27)32-19;1-33-26-18(17-9-25-23(24)35-17)16(29)8-14-20(30)28-19(22(31)32)13(11-34-21(14)28)10-27-7-3-5-12-4-2-6-15(12)27;1-12(23)11-21-20(25)18-19(24)16-9-8-15(10-17(16)13(2)22-18)26-14-6-4-3-5-7-14;1-10(20)11-5-4-6-12(9-11)15-18-16(21-19-15)13-7-2-3-8-14(13)17/h6-15,17,21,28H,5,16,18,34H2,1-4H3,(H2,35,39)(H,36,37)(H,41,42);10-15,24,27H,4-9,16-19H2,1-3H3;3-9,12-13H,10-11H2,1-2H3,(H,28,29,31);3,5,7,9,14,21H,2,4,6,8,10-11H2,1H3,(H2-,24,25,26,31,32);3-10,24H,11H2,1-2H3,(H,21,25);2-9H,1H3/b;34-20+;;;;/t21-,28-;;;14-,21-;;/m0..1../s1
InChIKeyHVYZMPNSDRSQKC-LVSDNWSLSA-N
MW2679.01 g/mol
LogP24.39
Rot. Bonds41

About N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide

N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide (PubChem CID 172918396) has the molecular formula C147H146F6N18O21S2 and a molecular weight of 2679.01 g/mol. Its IUPAC name is N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide
PubChem CID172918396
Molecular FormulaC147H146F6N18O21S2
Molecular Weight2679.01 g/mol
Exact Mass2677.03
IUPAC NameN-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide
SMILESCC(=O)CNC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O.CC(=O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(C)=O)C1.CCc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C(=O)O.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1cnc(N)s1
InChIInChI=1S/C33H37N5O4.C30H37F3N2O2.C25H20F2N2O4.C23H23N5O5S2.C20H18N2O4.C16H11FN2O2/c1-5-23-12-11-22(15-27(23)33(41)42)18-38(21(4)31-36-17-29(37-31)24-9-7-6-8-10-24)32(40)28(34)16-26-19(2)13-25(30(35)39)14-20(26)3;1-4-23-15-25(11-12-26(23)16-35-17-27(18-35)21(3)36)20(2)34-37-19-22-10-13-28(24-8-6-5-7-9-24)29(14-22)30(31,32)33;1-14-6-9-21(28-22(14)17-5-3-4-16(12-17)15(2)30)29-23(31)24(10-11-24)18-7-8-19-20(13-18)33-25(26,27)32-19;1-33-26-18(17-9-25-23(24)35-17)16(29)8-14-20(30)28-19(22(31)32)13(11-34-21(14)28)10-27-7-3-5-12-4-2-6-15(12)27;1-12(23)11-21-20(25)18-19(24)16-9-8-15(10-17(16)13(2)22-18)26-14-6-4-3-5-7-14;1-10(20)11-5-4-6-12(9-11)15-18-16(21-19-15)13-7-2-3-8-14(13)17/h6-15,17,21,28H,5,16,18,34H2,1-4H3,(H2,35,39)(H,36,37)(H,41,42);10-15,24,27H,4-9,16-19H2,1-3H3;3-9,12-13H,10-11H2,1-2H3,(H,28,29,31);3,5,7,9,14,21H,2,4,6,8,10-11H2,1H3,(H2-,24,25,26,31,32);3-10,24H,11H2,1-2H3,(H,21,25);2-9H,1H3/b;34-20+;;;;/t21-,28-;;;14-,21-;;/m0..1../s1
InChIKeyHVYZMPNSDRSQKC-LVSDNWSLSA-N
XLogP24.39
TPSA561.22 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002679.01
LogP ≤ 524.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide?
The IUPAC name of N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide (CID 172918396) is N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide.
What is the SMILES notation for N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide?
The canonical SMILES for N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide is CC(=O)CNC(=O)c1nc(C)c2cc(Oc3ccccc3)ccc2c1O.CC(=O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(C)=O)C1.CCc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C(=O)O.CO/N=C(\C(=O)C[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1cnc(N)s1.
What is the InChIKey of N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide?
The InChIKey is HVYZMPNSDRSQKC-LVSDNWSLSA-N. The full InChI is InChI=1S/C33H37N5O4.C30H37F3N2O2.C25H20F2N2O4.C23H23N5O5S2.C20H18N2O4.C16H11FN2O2/c1-5-23-12-11-22(15-27(23)33(41)42)18-38(21(4)31-36-17-29(37-31)24-9-7-6-8-10-24)32(40)28(34)16-26-19(2)13-25(30(35)39)14-20(26)3;1-4-23-15-25(11-12-26(23)16-35-17-27(18-35)21(3)36)20(2)34-37-19-22-10-13-28(24-8-6-5-7-9-24)29(14-22)30(31,32)33;1-14-6-9-21(28-22(14)17-5-3-4-16(12-17)15(2)30)29-23(31)24(10-11-24)18-7-8-19-20(13-18)33-25(26,27)32-19;1-33-26-18(17-9-25-23(24)35-17)16(29)8-14-20(30)28-19(22(31)32)13(11-34-21(14)28)10-27-7-3-5-12-4-2-6-15(12)27;1-12(23)11-21-20(25)18-19(24)16-9-8-15(10-17(16)13(2)22-18)26-14-6-4-3-5-7-14;1-10(20)11-5-4-6-12(9-11)15-18-16(21-19-15)13-7-2-3-8-14(13)17/h6-15,17,21,28H,5,16,18,34H2,1-4H3,(H2,35,39)(H,36,37)(H,41,42);10-15,24,27H,4-9,16-19H2,1-3H3;3-9,12-13H,10-11H2,1-2H3,(H,28,29,31);3,5,7,9,14,21H,2,4,6,8,10-11H2,1H3,(H2-,24,25,26,31,32);3-10,24H,11H2,1-2H3,(H,21,25);2-9H,1H3/b;34-20+;;;;/t21-,28-;;;14-,21-;;/m0..1../s1.
What are the key properties of N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide?
N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide has a molecular weight of 2679.01 g/mol, XLogP of 24.39, 41 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-ethylbenzoic acid;(6R,7R)-7-[(3E)-3-(2-amino-1,3-thiazol-5-yl)-3-methoxyimino-2-oxopropyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;1-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidin-3-yl]ethanone;1-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone;4-hydroxy-1-methyl-N-(2-oxopropyl)-7-phenoxyisoquinoline-3-carboxamide is sourced from PubChem (CID 172918396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).