4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

C134H177F2N35O20S5 — CID 172960547

IUPAC4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCC(C)O/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc(F)c21.CCn1nnc(-c2ccc(OCCCCCC3CCC(c4ccnc(N)c4)C3)nc2)n1.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4cc(N)ncc4F)S3(=O)=O)ccc21.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cn1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1
InChIInChI=1S/C24H33N5O4S.C23H30FN5O4S.C23H31N7O.C22H28FN5O4S.C22H29N5O4S.C20H26N8O3S/c1-18(2)33-27-23-9-6-19-16-21(7-8-22(19)23)32-15-5-3-4-12-28-13-14-29(34(28,30)31)20-10-11-26-24(25)17-20;1-2-33-27-21-7-6-17-14-19(16-20(24)23(17)21)32-13-5-3-4-10-28-11-12-29(34(28,30)31)18-8-9-26-22(25)15-18;1-2-30-28-23(27-29-30)20-9-10-22(26-16-20)31-13-5-3-4-6-17-7-8-18(14-17)19-11-12-25-21(24)15-19;1-31-26-20-8-5-16-13-17(6-7-18(16)20)32-12-4-2-3-9-27-10-11-28(33(27,29)30)21-14-22(24)25-15-19(21)23;1-30-25-21-8-5-17-15-19(6-7-20(17)21)31-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-24-22(23)16-18;1-26-24-20(23-25-26)16-5-7-18(8-6-16)31-14-4-2-3-11-27-12-13-28(32(27,29)30)17-9-10-22-19(21)15-17/h7-8,10-11,16-18H,3-6,9,12-15H2,1-2H3,(H2,25,26);8-9,14-16H,2-7,10-13H2,1H3,(H2,25,26);9-12,15-18H,2-8,13-14H2,1H3,(H2,24,25);6-7,13-15H,2-5,8-12H2,1H3,(H2,24,25);6-7,9-10,15-16H,2-5,8,11-14H2,1H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,21,22)/b27-23+;27-21+;;26-20+;25-21+;
InChIKeyPVAZZUKSWIHPTH-OGUGUAKMSA-N
MW2796.45 g/mol
LogP17.48
Rot. Bonds57

About 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (PubChem CID 172960547) has the molecular formula C134H177F2N35O20S5 and a molecular weight of 2796.45 g/mol. Its IUPAC name is 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
PubChem CID172960547
Molecular FormulaC134H177F2N35O20S5
Molecular Weight2796.45 g/mol
Exact Mass2794.25
IUPAC Name4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCC(C)O/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc(F)c21.CCn1nnc(-c2ccc(OCCCCCC3CCC(c4ccnc(N)c4)C3)nc2)n1.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4cc(N)ncc4F)S3(=O)=O)ccc21.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cn1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1
InChIInChI=1S/C24H33N5O4S.C23H30FN5O4S.C23H31N7O.C22H28FN5O4S.C22H29N5O4S.C20H26N8O3S/c1-18(2)33-27-23-9-6-19-16-21(7-8-22(19)23)32-15-5-3-4-12-28-13-14-29(34(28,30)31)20-10-11-26-24(25)17-20;1-2-33-27-21-7-6-17-14-19(16-20(24)23(17)21)32-13-5-3-4-10-28-11-12-29(34(28,30)31)18-8-9-26-22(25)15-18;1-2-30-28-23(27-29-30)20-9-10-22(26-16-20)31-13-5-3-4-6-17-7-8-18(14-17)19-11-12-25-21(24)15-19;1-31-26-20-8-5-16-13-17(6-7-18(16)20)32-12-4-2-3-9-27-10-11-28(33(27,29)30)21-14-22(24)25-15-19(21)23;1-30-25-21-8-5-17-15-19(6-7-20(17)21)31-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-24-22(23)16-18;1-26-24-20(23-25-26)16-5-7-18(8-6-16)31-14-4-2-3-11-27-12-13-28(32(27,29)30)17-9-10-22-19(21)15-17/h7-8,10-11,16-18H,3-6,9,12-15H2,1-2H3,(H2,25,26);8-9,14-16H,2-7,10-13H2,1H3,(H2,25,26);9-12,15-18H,2-8,13-14H2,1H3,(H2,24,25);6-7,13-15H,2-5,8-12H2,1H3,(H2,24,25);6-7,9-10,15-16H,2-5,8,11-14H2,1H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,21,22)/b27-23+;27-21+;;26-20+;25-21+;
InChIKeyPVAZZUKSWIHPTH-OGUGUAKMSA-N
XLogP17.48
TPSA678.39 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds57
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002796.45
LogP ≤ 517.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (CID 172960547) is 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is CC(C)O/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc(F)c21.CCn1nnc(-c2ccc(OCCCCCC3CCC(c4ccnc(N)c4)C3)nc2)n1.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4cc(N)ncc4F)S3(=O)=O)ccc21.CO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.Cn1nnc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)n1.
What is the InChIKey of 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The InChIKey is PVAZZUKSWIHPTH-OGUGUAKMSA-N. The full InChI is InChI=1S/C24H33N5O4S.C23H30FN5O4S.C23H31N7O.C22H28FN5O4S.C22H29N5O4S.C20H26N8O3S/c1-18(2)33-27-23-9-6-19-16-21(7-8-22(19)23)32-15-5-3-4-12-28-13-14-29(34(28,30)31)20-10-11-26-24(25)17-20;1-2-33-27-21-7-6-17-14-19(16-20(24)23(17)21)32-13-5-3-4-10-28-11-12-29(34(28,30)31)18-8-9-26-22(25)15-18;1-2-30-28-23(27-29-30)20-9-10-22(26-16-20)31-13-5-3-4-6-17-7-8-18(14-17)19-11-12-25-21(24)15-19;1-31-26-20-8-5-16-13-17(6-7-18(16)20)32-12-4-2-3-9-27-10-11-28(33(27,29)30)21-14-22(24)25-15-19(21)23;1-30-25-21-8-5-17-15-19(6-7-20(17)21)31-14-4-2-3-11-26-12-13-27(32(26,28)29)18-9-10-24-22(23)16-18;1-26-24-20(23-25-26)16-5-7-18(8-6-16)31-14-4-2-3-11-27-12-13-28(32(27,29)30)17-9-10-22-19(21)15-17/h7-8,10-11,16-18H,3-6,9,12-15H2,1-2H3,(H2,25,26);8-9,14-16H,2-7,10-13H2,1H3,(H2,25,26);9-12,15-18H,2-8,13-14H2,1H3,(H2,24,25);6-7,13-15H,2-5,8-12H2,1H3,(H2,24,25);6-7,9-10,15-16H,2-5,8,11-14H2,1H3,(H2,23,24);5-10,15H,2-4,11-14H2,1H3,(H2,21,22)/b27-23+;27-21+;;26-20+;25-21+;.
What are the key properties of 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine has a molecular weight of 2796.45 g/mol, XLogP of 17.48, 57 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-dioxo-5-[5-[[(1E)-1-propan-2-yloxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-ethoxyimino-7-fluoro-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[3-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]cyclopentyl]pyridin-2-amine;5-fluoro-4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[[(1E)-1-methoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;4-[5-[5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 172960547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).