(6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride

C191H229ClF10N30O32S — CID 165076890

IUPAC(6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride
SMILESC=CC(=O)CN[C@@H]1COC[C@@H]1c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)Cl.C=CC(=O)N[C@@H]1COC[C@@H]1c1n[nH]c2c1CCC(c1cc(OC)cc(OC)c1F)C2.C=CC(=O)N[C@H]1COC[C@H]1c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)N[C@H]1COC[C@H]1c1n[nH]c2c1CC[C@H](c1cc(OC)cc(OC)c1F)C2.COc1cc(OC)c(F)c([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1.COc1cc(OC)c(F)c([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1F.COc1cc(OC)cc([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1.COc1cc(OC)cc([C@H]2CCc3c(C4COCC4N)n[nH]c3C2)c1.COc1cc(OC)cc([C@H]2CCc3c(C4COCC4N)n[nH]c3C2)c1.CSF
InChIInChI=1S/C23H27F2N3O4.C22H25F2N3O4.2C22H26FN3O4.C20H22F2N4O3.C20H23FN4O3.C20H24N4O3.2C19H25N3O3.C3H3ClO.CH3FS/c1-4-13(29)9-26-17-11-32-10-15(17)23-14-6-5-12(7-16(14)27-28-23)20-21(24)18(30-2)8-19(31-3)22(20)25;1-4-18(28)25-15-10-31-9-13(15)22-12-6-5-11(7-14(12)26-27-22)19-20(23)16(29-2)8-17(30-3)21(19)24;2*1-4-20(27)24-18-11-30-10-16(18)22-14-6-5-12(7-17(14)25-26-22)15-8-13(28-2)9-19(29-3)21(15)23;1-27-15-6-16(28-2)19(22)17(18(15)21)10-3-4-12-11(5-10)7-24-20(12)13-8-29-9-14(13)25-26-23;1-26-13-6-15(19(21)18(7-13)27-2)11-3-4-14-12(5-11)8-23-20(14)16-9-28-10-17(16)24-25-22;1-25-15-6-13(7-16(8-15)26-2)12-3-4-17-14(5-12)9-22-20(17)18-10-27-11-19(18)23-24-21;2*1-23-13-5-12(6-14(8-13)24-2)11-3-4-15-18(7-11)21-22-19(15)16-9-25-10-17(16)20;1-2-3(4)5;1-3-2/h4,8,12,15,17,26H,1,5-7,9-11H2,2-3H3,(H,27,28);4,8,11,13,15H,1,5-7,9-10H2,2-3H3,(H,25,28)(H,26,27);2*4,8-9,12,16,18H,1,5-7,10-11H2,2-3H3,(H,24,27)(H,25,26);6,10,13-14H,3-5,7-9H2,1-2H3;6-7,11,16-17H,3-5,8-10H2,1-2H3;6-8,12,18-19H,3-5,9-11H2,1-2H3;2*5-6,8,11,16-17H,3-4,7,9-10,20H2,1-2H3,(H,21,22);2H,1H2;1H3/t12?,15-,17+;11?,13-,15+;12?,16-,18+;12-,16+,18-;10-,13?,14?;11-,16?,17?;12-,18?,19?;2*11-,16?,17?;;/m010000000../s1
InChIKeyULNRWFHQFUFFCT-XGPOKYAYSA-N
MW3714.61 g/mol
LogP29.83
Rot. Bonds50

About (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride

(6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride (PubChem CID 165076890) has the molecular formula C191H229ClF10N30O32S and a molecular weight of 3714.61 g/mol. Its IUPAC name is (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride.

Molecular Properties

Compound Name(6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride
PubChem CID165076890
Molecular FormulaC191H229ClF10N30O32S
Molecular Weight3714.61 g/mol
Exact Mass3711.65
IUPAC Name(6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride
SMILESC=CC(=O)CN[C@@H]1COC[C@@H]1c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)Cl.C=CC(=O)N[C@@H]1COC[C@@H]1c1n[nH]c2c1CCC(c1cc(OC)cc(OC)c1F)C2.C=CC(=O)N[C@H]1COC[C@H]1c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)N[C@H]1COC[C@H]1c1n[nH]c2c1CC[C@H](c1cc(OC)cc(OC)c1F)C2.COc1cc(OC)c(F)c([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1.COc1cc(OC)c(F)c([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1F.COc1cc(OC)cc([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1.COc1cc(OC)cc([C@H]2CCc3c(C4COCC4N)n[nH]c3C2)c1.COc1cc(OC)cc([C@H]2CCc3c(C4COCC4N)n[nH]c3C2)c1.CSF
InChIInChI=1S/C23H27F2N3O4.C22H25F2N3O4.2C22H26FN3O4.C20H22F2N4O3.C20H23FN4O3.C20H24N4O3.2C19H25N3O3.C3H3ClO.CH3FS/c1-4-13(29)9-26-17-11-32-10-15(17)23-14-6-5-12(7-16(14)27-28-23)20-21(24)18(30-2)8-19(31-3)22(20)25;1-4-18(28)25-15-10-31-9-13(15)22-12-6-5-11(7-14(12)26-27-22)19-20(23)16(29-2)8-17(30-3)21(19)24;2*1-4-20(27)24-18-11-30-10-16(18)22-14-6-5-12(7-17(14)25-26-22)15-8-13(28-2)9-19(29-3)21(15)23;1-27-15-6-16(28-2)19(22)17(18(15)21)10-3-4-12-11(5-10)7-24-20(12)13-8-29-9-14(13)25-26-23;1-26-13-6-15(19(21)18(7-13)27-2)11-3-4-14-12(5-11)8-23-20(14)16-9-28-10-17(16)24-25-22;1-25-15-6-13(7-16(8-15)26-2)12-3-4-17-14(5-12)9-22-20(17)18-10-27-11-19(18)23-24-21;2*1-23-13-5-12(6-14(8-13)24-2)11-3-4-15-18(7-11)21-22-19(15)16-9-25-10-17(16)20;1-2-3(4)5;1-3-2/h4,8,12,15,17,26H,1,5-7,9-11H2,2-3H3,(H,27,28);4,8,11,13,15H,1,5-7,9-10H2,2-3H3,(H,25,28)(H,26,27);2*4,8-9,12,16,18H,1,5-7,10-11H2,2-3H3,(H,24,27)(H,25,26);6,10,13-14H,3-5,7-9H2,1-2H3;6-7,11,16-17H,3-5,8-10H2,1-2H3;6-8,12,18-19H,3-5,9-11H2,1-2H3;2*5-6,8,11,16-17H,3-4,7,9-10,20H2,1-2H3,(H,21,22);2H,1H2;1H3/t12?,15-,17+;11?,13-,15+;12?,16-,18+;12-,16+,18-;10-,13?,14?;11-,16?,17?;12-,18?,19?;2*11-,16?,17?;;/m010000000../s1
InChIKeyULNRWFHQFUFFCT-XGPOKYAYSA-N
XLogP29.83
TPSA790.16 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds50
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003714.61
LogP ≤ 529.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride with MolForge

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Related Compounds

N-[5-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
CID 165094310
N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5-dihydro-1H-indazol-3-yl]-5-(dimethylamino)phenyl]prop-2-enamide;N-[2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[5-[6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[5-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
CID 159673361
6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole;N-[5-[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide;6-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methyl-4-nitropyrazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole
CID 159672992
N-[2-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 142540685
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]prop-2-enamide
CID 138457815
N-[5-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl]-1-methylpyrazol-4-yl]prop-2-enamide
CID 155673625
N-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-(dipropylamino)phenyl]prop-2-enamide
CID 154987636
2-[(4-aminooxolan-3-yl)amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one;3,4-diazidooxolane;N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;2,5-dihydrofuran;methane;(4-methyloxolan-3-yl) methanesulfonate;oxolane-3,4-diamine;oxolane-3,4-diol;prop-2-enoyl chloride
CID 158288211
N-[4-chloro-2-[(6R)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 138458016
tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride
CID 159852324
N-[2-[(6S)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 155065795
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethylpyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385432

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride?
The IUPAC name of (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride (CID 165076890) is (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride.
What is the SMILES notation for (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride?
The canonical SMILES for (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride is C=CC(=O)CN[C@@H]1COC[C@@H]1c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)Cl.C=CC(=O)N[C@@H]1COC[C@@H]1c1n[nH]c2c1CCC(c1cc(OC)cc(OC)c1F)C2.C=CC(=O)N[C@H]1COC[C@H]1c1n[nH]c2c1CCC(c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)N[C@H]1COC[C@H]1c1n[nH]c2c1CC[C@H](c1cc(OC)cc(OC)c1F)C2.COc1cc(OC)c(F)c([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1.COc1cc(OC)c(F)c([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1F.COc1cc(OC)cc([C@H]2CCC3=C(CN=C3C3COCC3N=[N+]=[N-])C2)c1.COc1cc(OC)cc([C@H]2CCc3c(C4COCC4N)n[nH]c3C2)c1.COc1cc(OC)cc([C@H]2CCc3c(C4COCC4N)n[nH]c3C2)c1.CSF.
What is the InChIKey of (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride?
The InChIKey is ULNRWFHQFUFFCT-XGPOKYAYSA-N. The full InChI is InChI=1S/C23H27F2N3O4.C22H25F2N3O4.2C22H26FN3O4.C20H22F2N4O3.C20H23FN4O3.C20H24N4O3.2C19H25N3O3.C3H3ClO.CH3FS/c1-4-13(29)9-26-17-11-32-10-15(17)23-14-6-5-12(7-16(14)27-28-23)20-21(24)18(30-2)8-19(31-3)22(20)25;1-4-18(28)25-15-10-31-9-13(15)22-12-6-5-11(7-14(12)26-27-22)19-20(23)16(29-2)8-17(30-3)21(19)24;2*1-4-20(27)24-18-11-30-10-16(18)22-14-6-5-12(7-17(14)25-26-22)15-8-13(28-2)9-19(29-3)21(15)23;1-27-15-6-16(28-2)19(22)17(18(15)21)10-3-4-12-11(5-10)7-24-20(12)13-8-29-9-14(13)25-26-23;1-26-13-6-15(19(21)18(7-13)27-2)11-3-4-14-12(5-11)8-23-20(14)16-9-28-10-17(16)24-25-22;1-25-15-6-13(7-16(8-15)26-2)12-3-4-17-14(5-12)9-22-20(17)18-10-27-11-19(18)23-24-21;2*1-23-13-5-12(6-14(8-13)24-2)11-3-4-15-18(7-11)21-22-19(15)16-9-25-10-17(16)20;1-2-3(4)5;1-3-2/h4,8,12,15,17,26H,1,5-7,9-11H2,2-3H3,(H,27,28);4,8,11,13,15H,1,5-7,9-10H2,2-3H3,(H,25,28)(H,26,27);2*4,8-9,12,16,18H,1,5-7,10-11H2,2-3H3,(H,24,27)(H,25,26);6,10,13-14H,3-5,7-9H2,1-2H3;6-7,11,16-17H,3-5,8-10H2,1-2H3;6-8,12,18-19H,3-5,9-11H2,1-2H3;2*5-6,8,11,16-17H,3-4,7,9-10,20H2,1-2H3,(H,21,22);2H,1H2;1H3/t12?,15-,17+;11?,13-,15+;12?,16-,18+;12-,16+,18-;10-,13?,14?;11-,16?,17?;12-,18?,19?;2*11-,16?,17?;;/m010000000../s1.
What are the key properties of (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride?
(6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride has a molecular weight of 3714.61 g/mol, XLogP of 29.83, 50 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(4-azidooxolan-3-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;(6S)-3-(4-azidooxolan-3-yl)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole;1-[[(3S,4S)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]amino]but-3-en-2-one;N-[(3R,4R)-4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;bis(4-[(6S)-6-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-amine);N-[(3S,4S)-4-[6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;N-[(3R,4R)-4-[(6S)-6-(2-fluoro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]oxolan-3-yl]prop-2-enamide;methyl thiohypofluorite;prop-2-enoyl chloride is sourced from PubChem (CID 165076890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).