4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

C139H170F6N40O10S8 — CID 172961535

IUPAC4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
SMILESC=CN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.C=Cc1ccc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)cc1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.CC(C)c1ccc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)cc1.CCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.Cc1cc(C)cc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)c1.FCCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1
InChIInChI=1S/C22H27N5OS.C21H25N5OS.C21H23N5OS.C15H19F2N5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H18FN5OS/c1-16(2)17-5-7-18(8-6-17)26-11-13-27(14-12-26)22(29)25-24-19-9-15-28-20-4-3-10-23-21(19)20;1-15-12-16(2)14-17(13-15)25-7-9-26(10-8-25)21(28)24-23-18-5-11-27-19-4-3-6-22-20(18)19;1-2-16-5-7-17(8-6-16)25-11-13-26(14-12-25)21(28)24-23-18-9-15-27-19-4-3-10-22-20(18)19;16-4-5-21-6-8-22(9-7-21)15(24)20-19-11-3-10-23-12-1-2-13(17)18-14(11)12;1-10(22)20-5-7-21(8-6-20)15(24)19-18-11-4-9-23-12-2-3-13(16)17-14(11)12;16-13-2-1-12-14(17-13)11(3-10-23-12)18-19-15(24)21-6-4-20(5-7-21)8-9-22;2*1-2-20-6-8-21(9-7-20)15(23)19-18-11-5-10-22-12-3-4-13(16)17-14(11)12/h3-8,10,16H,9,11-15H2,1-2H3,(H,25,29);3-4,6,12-14H,5,7-11H2,1-2H3,(H,24,28);2-8,10H,1,9,11-15H2,(H,24,28);1-2H,3-10H2,(H,20,24);2-3H,4-9H2,1H3,(H,19,24);1-2,22H,3-10H2,(H,19,24);3-4H,2,5-10H2,1H3,(H,19,23);2-4H,1,5-10H2,(H,19,23)/b24-19-;2*23-18-;19-11-;4*18-11-
InChIKeyUPFBRDORUTZPKS-YGIDKLMKSA-N
MW2931.68 g/mol
LogP13.85
Rot. Bonds19

About 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide (PubChem CID 172961535) has the molecular formula C139H170F6N40O10S8 and a molecular weight of 2931.68 g/mol. Its IUPAC name is 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
PubChem CID172961535
Molecular FormulaC139H170F6N40O10S8
Molecular Weight2931.68 g/mol
Exact Mass2929.17
IUPAC Name4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
SMILESC=CN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.C=Cc1ccc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)cc1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.CC(C)c1ccc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)cc1.CCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.Cc1cc(C)cc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)c1.FCCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1
InChIInChI=1S/C22H27N5OS.C21H25N5OS.C21H23N5OS.C15H19F2N5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H18FN5OS/c1-16(2)17-5-7-18(8-6-17)26-11-13-27(14-12-26)22(29)25-24-19-9-15-28-20-4-3-10-23-21(19)20;1-15-12-16(2)14-17(13-15)25-7-9-26(10-8-25)21(28)24-23-18-5-11-27-19-4-3-6-22-20(18)19;1-2-16-5-7-17(8-6-16)25-11-13-26(14-12-25)21(28)24-23-18-9-15-27-19-4-3-10-22-20(18)19;16-4-5-21-6-8-22(9-7-21)15(24)20-19-11-3-10-23-12-1-2-13(17)18-14(11)12;1-10(22)20-5-7-21(8-6-20)15(24)19-18-11-4-9-23-12-2-3-13(16)17-14(11)12;16-13-2-1-12-14(17-13)11(3-10-23-12)18-19-15(24)21-6-4-20(5-7-21)8-9-22;2*1-2-20-6-8-21(9-7-20)15(23)19-18-11-5-10-22-12-3-4-13(16)17-14(11)12/h3-8,10,16H,9,11-15H2,1-2H3,(H,25,29);3-4,6,12-14H,5,7-11H2,1-2H3,(H,24,28);2-8,10H,1,9,11-15H2,(H,24,28);1-2H,3-10H2,(H,20,24);2-3H,4-9H2,1H3,(H,19,24);1-2,22H,3-10H2,(H,19,24);3-4H,2,5-10H2,1H3,(H,19,23);2-4H,1,5-10H2,(H,19,23)/b24-19-;2*23-18-;19-11-;4*18-11-
InChIKeyUPFBRDORUTZPKS-YGIDKLMKSA-N
XLogP13.85
TPSA461.22 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds19
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002931.68
LogP ≤ 513.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?
The IUPAC name of 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide (CID 172961535) is 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide is C=CN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.C=Cc1ccc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)cc1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.CC(C)c1ccc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)cc1.CCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.Cc1cc(C)cc(N2CCN(C(=S)N/N=C3/CCOc4cccnc43)CC2)c1.FCCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3ccc(F)nc32)CC1.
What is the InChIKey of 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?
The InChIKey is UPFBRDORUTZPKS-YGIDKLMKSA-N. The full InChI is InChI=1S/C22H27N5OS.C21H25N5OS.C21H23N5OS.C15H19F2N5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H18FN5OS/c1-16(2)17-5-7-18(8-6-17)26-11-13-27(14-12-26)22(29)25-24-19-9-15-28-20-4-3-10-23-21(19)20;1-15-12-16(2)14-17(13-15)25-7-9-26(10-8-25)21(28)24-23-18-5-11-27-19-4-3-6-22-20(18)19;1-2-16-5-7-17(8-6-16)25-11-13-26(14-12-25)21(28)24-23-18-9-15-27-19-4-3-10-22-20(18)19;16-4-5-21-6-8-22(9-7-21)15(24)20-19-11-3-10-23-12-1-2-13(17)18-14(11)12;1-10(22)20-5-7-21(8-6-20)15(24)19-18-11-4-9-23-12-2-3-13(16)17-14(11)12;16-13-2-1-12-14(17-13)11(3-10-23-12)18-19-15(24)21-6-4-20(5-7-21)8-9-22;2*1-2-20-6-8-21(9-7-20)15(23)19-18-11-5-10-22-12-3-4-13(16)17-14(11)12/h3-8,10,16H,9,11-15H2,1-2H3,(H,25,29);3-4,6,12-14H,5,7-11H2,1-2H3,(H,24,28);2-8,10H,1,9,11-15H2,(H,24,28);1-2H,3-10H2,(H,20,24);2-3H,4-9H2,1H3,(H,19,24);1-2,22H,3-10H2,(H,19,24);3-4H,2,5-10H2,1H3,(H,19,23);2-4H,1,5-10H2,(H,19,23)/b24-19-;2*23-18-;19-11-;4*18-11-.
What are the key properties of 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?
4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide has a molecular weight of 2931.68 g/mol, XLogP of 13.85, 19 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(3,5-dimethylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(Z)-2,3-dihydropyrano[3,2-b]pyridin-4-ylideneamino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide is sourced from PubChem (CID 172961535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).