3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen

C117H93ClF10N10O21 — CID 159068415

IUPAC3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen
SMILESCc1cc(C(=O)O)ccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C(F)(F)F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(F)c(C(=O)O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1cccc(C(=O)O)c1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccccc2)CC1.O=C(O)c1cc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)ccc1Cl.[H][H]
InChIInChI=1S/C25H17F5N2O5.C24H17F3N2O5.C24H20N2O5.C23H15ClF2N2O5.C21H22N2O.H2/c1-12-10-13(21(33)34)2-4-15(12)20-16(24(26,27)28)5-7-19(31-20)32-22(35)23(8-9-23)14-3-6-17-18(11-14)37-25(29,30)36-17;1-12-2-7-19(28-20(12)13-3-5-16(25)15(10-13)21(30)31)29-22(32)23(8-9-23)14-4-6-17-18(11-14)34-24(26,27)33-17;1-14-5-8-20(25-21(14)15-3-2-4-16(11-15)22(27)28)26-23(29)24(9-10-24)17-6-7-18-19(12-17)31-13-30-18;24-15-6-4-12(10-14(15)20(29)30)16-2-1-3-19(27-16)28-21(31)22(8-9-22)13-5-7-17-18(11-13)33-23(25,26)32-17;24-20(21(14-15-21)17-10-5-2-6-11-17)23-19-13-7-12-18(22-19)16-8-3-1-4-9-16;/h2-7,10-11H,8-9H2,1H3,(H,33,34)(H,31,32,35);2-7,10-11H,8-9H2,1H3,(H,30,31)(H,28,29,32);2-8,11-12H,9-10,13H2,1H3,(H,27,28)(H,25,26,29);1-7,10-11H,8-9H2,(H,29,30)(H,27,28,31);2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,23,24);1H
InChIKeyJZIMLTVDZSYWNB-UHFFFAOYSA-N
MW2200.51 g/mol
LogP24.85
Rot. Bonds24

About 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen

3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen (PubChem CID 159068415) has the molecular formula C117H93ClF10N10O21 and a molecular weight of 2200.51 g/mol. Its IUPAC name is 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen.

Molecular Properties

Compound Name3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen
PubChem CID159068415
Molecular FormulaC117H93ClF10N10O21
Molecular Weight2200.51 g/mol
Exact Mass2198.60
IUPAC Name3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen
SMILESCc1cc(C(=O)O)ccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C(F)(F)F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(F)c(C(=O)O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1cccc(C(=O)O)c1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccccc2)CC1.O=C(O)c1cc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)ccc1Cl.[H][H]
InChIInChI=1S/C25H17F5N2O5.C24H17F3N2O5.C24H20N2O5.C23H15ClF2N2O5.C21H22N2O.H2/c1-12-10-13(21(33)34)2-4-15(12)20-16(24(26,27)28)5-7-19(31-20)32-22(35)23(8-9-23)14-3-6-17-18(11-14)37-25(29,30)36-17;1-12-2-7-19(28-20(12)13-3-5-16(25)15(10-13)21(30)31)29-22(32)23(8-9-23)14-4-6-17-18(11-14)34-24(26,27)33-17;1-14-5-8-20(25-21(14)15-3-2-4-16(11-15)22(27)28)26-23(29)24(9-10-24)17-6-7-18-19(12-17)31-13-30-18;24-15-6-4-12(10-14(15)20(29)30)16-2-1-3-19(27-16)28-21(31)22(8-9-22)13-5-7-17-18(11-13)33-23(25,26)32-17;24-20(21(14-15-21)17-10-5-2-6-11-17)23-19-13-7-12-18(22-19)16-8-3-1-4-9-16;/h2-7,10-11H,8-9H2,1H3,(H,33,34)(H,31,32,35);2-7,10-11H,8-9H2,1H3,(H,30,31)(H,28,29,32);2-8,11-12H,9-10,13H2,1H3,(H,27,28)(H,25,26,29);1-7,10-11H,8-9H2,(H,29,30)(H,27,28,31);2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,23,24);1H
InChIKeyJZIMLTVDZSYWNB-UHFFFAOYSA-N
XLogP24.85
TPSA432.99 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002200.51
LogP ≤ 524.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen with MolForge

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Related Compounds

2-Chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
CID 16678938
3-[[2-(3-Carboxy-5-fluorophenyl)-6-[[2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]pyridin-3-yl]methyl]-5-[6-[[2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]-3-methylpyridin-2-yl]-4-fluorobenzoic acid
CID 123810418
3-[6-[[2-(2,2-Difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]-3-methyl-2-pyridinyl]-4-fluorobenzoic acid;3-[6-[[2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]-3-methyl-2-pyridinyl]-5-fluorobenzoic acid;ethane
CID 144746879
4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-3-methylbenzoic acid;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-2-fluorobenzoic acid
CID 157184589
N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157218311
N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157253421
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]benzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methyl-3-pyridinyl]benzoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-3-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-3-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157303137
N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[4-(2,2,2-trifluoroacetyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 157428729
N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(3-oxo-1,2-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
CID 157566778
4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-ethyl-2-pyridinyl]benzoic acid;4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-2-methylbenzoic acid;N-[6-(4-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[5-methyl-6-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157598470
4-[3-[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]isoquinolin-1-yl]benzamide;4-[3-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]isoquinolin-1-yl]benzoic acid;molecular hydrogen
CID 157628926
N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(2-hydroxypropan-2-yl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
CID 157739383

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen?
The IUPAC name of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen (CID 159068415) is 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen.
What is the SMILES notation for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen?
The canonical SMILES for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen is Cc1cc(C(=O)O)ccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C(F)(F)F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(F)c(C(=O)O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1cccc(C(=O)O)c1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccccc2)CC1.O=C(O)c1cc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)ccc1Cl.[H][H].
What is the InChIKey of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen?
The InChIKey is JZIMLTVDZSYWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F5N2O5.C24H17F3N2O5.C24H20N2O5.C23H15ClF2N2O5.C21H22N2O.H2/c1-12-10-13(21(33)34)2-4-15(12)20-16(24(26,27)28)5-7-19(31-20)32-22(35)23(8-9-23)14-3-6-17-18(11-14)37-25(29,30)36-17;1-12-2-7-19(28-20(12)13-3-5-16(25)15(10-13)21(30)31)29-22(32)23(8-9-23)14-4-6-17-18(11-14)34-24(26,27)33-17;1-14-5-8-20(25-21(14)15-3-2-4-16(11-15)22(27)28)26-23(29)24(9-10-24)17-6-7-18-19(12-17)31-13-30-18;24-15-6-4-12(10-14(15)20(29)30)16-2-1-3-19(27-16)28-21(31)22(8-9-22)13-5-7-17-18(11-13)33-23(25,26)32-17;24-20(21(14-15-21)17-10-5-2-6-11-17)23-19-13-7-12-18(22-19)16-8-3-1-4-9-16;/h2-7,10-11H,8-9H2,1H3,(H,33,34)(H,31,32,35);2-7,10-11H,8-9H2,1H3,(H,30,31)(H,28,29,32);2-8,11-12H,9-10,13H2,1H3,(H,27,28)(H,25,26,29);1-7,10-11H,8-9H2,(H,29,30)(H,27,28,31);2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,23,24);1H.
What are the key properties of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen?
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen has a molecular weight of 2200.51 g/mol, XLogP of 24.85, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid;2-chloro-5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzoic acid;N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;molecular hydrogen is sourced from PubChem (CID 159068415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).