4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

C91H115F7N30O8S6 — CID 172983724

About 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide (PubChem CID 172983724) has the molecular formula C91H115F7N30O8S6 and a molecular weight of 2082.51 g/mol. Its IUPAC name is 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
• PubChem CID: 172983724
• Molecular Formula: C91H115F7N30O8S6
• Molecular Weight: 2082.51 g/mol
• Exact Mass: 2080.77
• IUPAC Name: 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
• SMILES: C=CN1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.FCCN1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.Fc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1
• InChI: InChI=1S/C16H20FN5OS.C15H19F2N5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H18FN5OS/c17-12-3-5-18-14-13(4-10-23-15(12)14)19-20-16(24)22-8-6-21(7-9-22)11-1-2-11;16-3-5-21-6-8-22(9-7-21)15(24)20-19-12-2-10-23-14-11(17)1-4-18-13(12)14;1-10(22)20-5-7-21(8-6-20)15(24)19-18-12-3-9-23-14-11(16)2-4-17-13(12)14;16-11-1-3-17-13-12(2-10-23-14(11)13)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)19-18-12-4-10-22-14-11(16)3-5-17-13(12)14/h3,5,11H,1-2,4,6-10H2,(H,20,24);1,4H,2-3,5-10H2,(H,20,24);2,4H,3,5-9H2,1H3,(H,19,24);1,3,22H,2,4-10H2,(H,19,24);3,5H,2,4,6-10H2,1H3,(H,19,23);2-3,5H,1,4,6-10H2,(H,19,23)/b19-13-;19-12-;4*18-12-
• InChIKey: MAWSPDZDMFKGDH-XUHSTMTNSA-N
• XLogP: 6.03
• TPSA: 355.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2082.51
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-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)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide (CID 172983724) is 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-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)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-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)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-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/CCOc3c(F)ccnc32)CC1.CC(=O)N1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.CCN1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.FCCN1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.Fc1ccnc2c1OCC/C2=N/NC(=S)N1CCN(C2CC2)CC1.OCCN1CCN(C(=S)N/N=C2/CCOc3c(F)ccnc32)CC1.

What is the InChIKey of 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?

The InChIKey is MAWSPDZDMFKGDH-XUHSTMTNSA-N. The full InChI is InChI=1S/C16H20FN5OS.C15H19F2N5OS.C15H18FN5O2S.C15H20FN5O2S.C15H20FN5OS.C15H18FN5OS/c17-12-3-5-18-14-13(4-10-23-15(12)14)19-20-16(24)22-8-6-21(7-9-22)11-1-2-11;16-3-5-21-6-8-22(9-7-21)15(24)20-19-12-2-10-23-14-11(17)1-4-18-13(12)14;1-10(22)20-5-7-21(8-6-20)15(24)19-18-12-3-9-23-14-11(16)2-4-17-13(12)14;16-11-1-3-17-13-12(2-10-23-14(11)13)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)19-18-12-4-10-22-14-11(16)3-5-17-13(12)14/h3,5,11H,1-2,4,6-10H2,(H,20,24);1,4H,2-3,5-10H2,(H,20,24);2,4H,3,5-9H2,1H3,(H,19,24);1,3,22H,2,4-10H2,(H,19,24);3,5H,2,4,6-10H2,1H3,(H,19,23);2-3,5H,1,4,6-10H2,(H,19,23)/b19-13-;19-12-;4*18-12-.

What are the key properties of 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide?

4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide has a molecular weight of 2082.51 g/mol, XLogP of 6.03, 13 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-cyclopropyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethenyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;4-ethyl-N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-fluoroethyl)piperazine-1-carbothioamide;N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(2-hydroxyethyl)piperazine-1-carbothioamide is sourced from PubChem (CID 172983724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).