About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 162127462) has the molecular formula C81H84F3N7O14S2
and a molecular weight of 1500.73 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
Analyze 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 162127462) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is Cc1cc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1cccc(C(C)C)c1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccc(OC(F)(F)F)cc2)CC1.O=C1CN(S(=O)(=O)c2ccc(-c3cccc(CC(=O)C4(c5ccc6c(c5)OCO6)CC4)n3)cc2)CCN1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is ZIFNISWGXATFAZ-LHLYQOSOSA-N. The full InChI is InChI=1S/C27H26F3N3O5S.C27H25N3O6S.C27H27NO3.3H2/c28-27(29,30)38-21-10-8-19(9-11-21)26(14-15-26)25(35)32-24-5-1-4-23(31-24)18-6-12-22(13-7-18)39(36,37)33-16-2-3-20(33)17-34;31-25(27(10-11-27)19-6-9-23-24(14-19)36-17-35-23)15-20-2-1-3-22(29-20)18-4-7-21(8-5-18)37(33,34)30-13-12-28-26(32)16-30;1-17(2)19-5-4-6-20(12-19)23-15-28-22(11-18(23)3)14-26(29)27(9-10-27)21-7-8-24-25(13-21)31-16-30-24;;;/h1,4-13,20,34H,2-3,14-17H2,(H,31,32,35);1-9,14H,10-13,15-17H2,(H,28,32);4-8,11-13,15,17H,9-10,14,16H2,1-3H3;3*1H/t20-;;;;;/m1...../s1.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1500.73 g/mol, XLogP of 13.39, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(3-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 162127462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).