(4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C129H148FN33O18S11 — CID 159314124

IUPAC(4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCCN1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccnn2C)C1.Nc1cc([C@@H]2CCCCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)ccn1.O=S(=O)(Nc1ccncn1)c1cc2c(cc1F)[C@@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccnnc1
InChIInChI=1S/C24H25FN4O3S.C23H27N5O3S2.C21H26N6O3S2.C21H24N6O3S2.C20H24N6O3S2.C20H22N6O3S2/c25-19-14-18-21(29-12-5-4-8-20(29)17-6-2-1-3-7-17)10-13-32-22(18)15-23(19)33(30,31)28-24-9-11-26-16-27-24;1-2-27-11-12-28(21(15-27)17-6-4-3-5-7-17)20-10-13-31-22-14-18(8-9-19(20)22)33(29,30)26-23-24-16-25-32-23;1-14-6-9-27(19(11-14)18-5-8-23-26(18)2)17-7-10-30-20-12-15(3-4-16(17)20)32(28,29)25-21-22-13-24-31-21;22-20-11-14(6-8-23-20)17-3-1-2-9-27(17)18-7-10-30-19-12-15(4-5-16(18)19)32(28,29)26-21-24-13-25-31-21;1-13-5-8-26(18(10-13)16-4-7-22-24-16)17-6-9-29-19-11-14(2-3-15(17)19)31(27,28)25-20-21-12-23-30-20;27-31(28,25-20-21-13-24-30-20)15-4-5-16-18(7-10-29-19(16)11-15)26-9-2-1-3-17(26)14-6-8-22-23-12-14/h1-3,6-7,9,11,14-16,20-21H,4-5,8,10,12-13H2,(H,26,27,28);3-9,14,16,20-21H,2,10-13,15H2,1H3,(H,24,25,26);3-5,8,12-14,17,19H,6-7,9-11H2,1-2H3,(H,22,24,25);4-6,8,11-13,17-18H,1-3,7,9-10H2,(H2,22,23)(H,24,25,26);2-4,7,11-13,17-18H,5-6,8-10H2,1H3,(H,22,24)(H,21,23,25);4-6,8,11-13,17-18H,1-3,7,9-10H2,(H,21,24,25)/t2*20-,21-;14-,17+,19+;17-,18-;13-,17+,18+;17-,18-/m001010/s1
InChIKeyLCXPYIIFGODVKC-JMXAWFSESA-N
MW2820.55 g/mol
LogP21.28
Rot. Bonds31

About (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 159314124) has the molecular formula C129H148FN33O18S11 and a molecular weight of 2820.55 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID159314124
Molecular FormulaC129H148FN33O18S11
Molecular Weight2820.55 g/mol
Exact Mass2817.86
IUPAC Name(4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCCN1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccnn2C)C1.Nc1cc([C@@H]2CCCCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)ccn1.O=S(=O)(Nc1ccncn1)c1cc2c(cc1F)[C@@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccnnc1
InChIInChI=1S/C24H25FN4O3S.C23H27N5O3S2.C21H26N6O3S2.C21H24N6O3S2.C20H24N6O3S2.C20H22N6O3S2/c25-19-14-18-21(29-12-5-4-8-20(29)17-6-2-1-3-7-17)10-13-32-22(18)15-23(19)33(30,31)28-24-9-11-26-16-27-24;1-2-27-11-12-28(21(15-27)17-6-4-3-5-7-17)20-10-13-31-22-14-18(8-9-19(20)22)33(29,30)26-23-24-16-25-32-23;1-14-6-9-27(19(11-14)18-5-8-23-26(18)2)17-7-10-30-20-12-15(3-4-16(17)20)32(28,29)25-21-22-13-24-31-21;22-20-11-14(6-8-23-20)17-3-1-2-9-27(17)18-7-10-30-19-12-15(4-5-16(18)19)32(28,29)26-21-24-13-25-31-21;1-13-5-8-26(18(10-13)16-4-7-22-24-16)17-6-9-29-19-11-14(2-3-15(17)19)31(27,28)25-20-21-12-23-30-20;27-31(28,25-20-21-13-24-30-20)15-4-5-16-18(7-10-29-19(16)11-15)26-9-2-1-3-17(26)14-6-8-22-23-12-14/h1-3,6-7,9,11,14-16,20-21H,4-5,8,10,12-13H2,(H,26,27,28);3-9,14,16,20-21H,2,10-13,15H2,1H3,(H,24,25,26);3-5,8,12-14,17,19H,6-7,9-11H2,1-2H3,(H,22,24,25);4-6,8,11-13,17-18H,1-3,7,9-10H2,(H2,22,23)(H,24,25,26);2-4,7,11-13,17-18H,5-6,8-10H2,1H3,(H,22,24)(H,21,23,25);4-6,8,11-13,17-18H,1-3,7,9-10H2,(H,21,24,25)/t2*20-,21-;14-,17+,19+;17-,18-;13-,17+,18+;17-,18-/m001010/s1
InChIKeyLCXPYIIFGODVKC-JMXAWFSESA-N
XLogP21.28
TPSA620.95 Ų
H-Bond Donors8
H-Bond Acceptors49
Rotatable Bonds31
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002820.55
LogP ≤ 521.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1049

Analyze (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 159314124) is (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is CCN1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccccc2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccn[nH]2)C1.C[C@@H]1CCN([C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)[C@H](c2ccnn2C)C1.Nc1cc([C@@H]2CCCCN2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)ccn1.O=S(=O)(Nc1ccncn1)c1cc2c(cc1F)[C@@H](N1CCCC[C@H]1c1ccccc1)CCO2.O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCC[C@@H]2N1CCCC[C@H]1c1ccnnc1.
What is the InChIKey of (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is LCXPYIIFGODVKC-JMXAWFSESA-N. The full InChI is InChI=1S/C24H25FN4O3S.C23H27N5O3S2.C21H26N6O3S2.C21H24N6O3S2.C20H24N6O3S2.C20H22N6O3S2/c25-19-14-18-21(29-12-5-4-8-20(29)17-6-2-1-3-7-17)10-13-32-22(18)15-23(19)33(30,31)28-24-9-11-26-16-27-24;1-2-27-11-12-28(21(15-27)17-6-4-3-5-7-17)20-10-13-31-22-14-18(8-9-19(20)22)33(29,30)26-23-24-16-25-32-23;1-14-6-9-27(19(11-14)18-5-8-23-26(18)2)17-7-10-30-20-12-15(3-4-16(17)20)32(28,29)25-21-22-13-24-31-21;22-20-11-14(6-8-23-20)17-3-1-2-9-27(17)18-7-10-30-19-12-15(4-5-16(18)19)32(28,29)26-21-24-13-25-31-21;1-13-5-8-26(18(10-13)16-4-7-22-24-16)17-6-9-29-19-11-14(2-3-15(17)19)31(27,28)25-20-21-12-23-30-20;27-31(28,25-20-21-13-24-30-20)15-4-5-16-18(7-10-29-19(16)11-15)26-9-2-1-3-17(26)14-6-8-22-23-12-14/h1-3,6-7,9,11,14-16,20-21H,4-5,8,10,12-13H2,(H,26,27,28);3-9,14,16,20-21H,2,10-13,15H2,1H3,(H,24,25,26);3-5,8,12-14,17,19H,6-7,9-11H2,1-2H3,(H,22,24,25);4-6,8,11-13,17-18H,1-3,7,9-10H2,(H2,22,23)(H,24,25,26);2-4,7,11-13,17-18H,5-6,8-10H2,1H3,(H,22,24)(H,21,23,25);4-6,8,11-13,17-18H,1-3,7,9-10H2,(H,21,24,25)/t2*20-,21-;14-,17+,19+;17-,18-;13-,17+,18+;17-,18-/m001010/s1.
What are the key properties of (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 2820.55 g/mol, XLogP of 21.28, 31 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-(2-amino-4-pyridinyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2R)-4-ethyl-2-phenylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-6-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S,4R)-4-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-pyridazin-4-ylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 159314124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).