2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C158H176F5N27O40S2 — CID 160747492

IUPAC2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC4CC4)c3c(=O)[nH]2)CC1.CCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC4CC4)c3c(=O)[nH]2)CC1.CCc1cc(=O)oc2nc(ON=C3CCC(S(=O)(=O)Cc4ccc(F)cc4)CC3)[nH]c(=O)c12.CCc1cc(=O)oc2nc(ON=C3CCCC4=C3C=CC4)[nH]c(=O)c12.CCc1cc(=O)oc2nc(ON=C3CCN(S(=O)(=O)CC4CCCCC4)CC3)[nH]c(=O)c12.O=c1cc(CCCC(F)(F)F)c2c(=O)[nH]c(ON=C3CCCCC3)nc2o1.O=c1cc(CCCC2CC2)c2c(=O)[nH]c(ON=C3CCCCC3)nc2o1.O=c1cc(Cc2cccc(F)c2)c2c(=O)[nH]c(ON=C3CCCC3)nc2o1
InChIInChI=1S/C22H22FN3O6S.C21H28N4O6S.2C21H26N4O6.C19H16FN3O4.C19H23N3O4.C18H17N3O4.C17H18F3N3O4/c1-2-14-11-18(27)31-21-19(14)20(28)24-22(25-21)32-26-16-7-9-17(10-8-16)33(29,30)12-13-3-5-15(23)6-4-13;1-2-15-12-17(26)30-20-18(15)19(27)22-21(23-20)31-24-16-8-10-25(11-9-16)32(28,29)13-14-6-4-3-5-7-14;2*1-2-29-21(28)25-10-8-15(9-11-25)24-31-20-22-18(27)17-14(5-3-4-13-6-7-13)12-16(26)30-19(17)23-20;20-13-5-3-4-11(9-13)8-12-10-15(24)26-18-16(12)17(25)21-19(22-18)27-23-14-6-1-2-7-14;23-15-11-13(6-4-5-12-9-10-12)16-17(24)20-19(21-18(16)25-15)26-22-14-7-2-1-3-8-14;1-2-10-9-14(22)24-17-15(10)16(23)19-18(20-17)25-21-13-8-4-6-11-5-3-7-12(11)13;18-17(19,20)8-4-5-10-9-12(24)26-15-13(10)14(25)21-16(22-15)27-23-11-6-2-1-3-7-11/h3-6,11,17H,2,7-10,12H2,1H3,(H,24,25,28);12,14H,2-11,13H2,1H3,(H,22,23,27);2*12-13H,2-11H2,1H3,(H,22,23,27);3-5,9-10H,1-2,6-8H2,(H,21,22,25);11-12H,1-10H2,(H,20,21,24);3,7,9H,2,4-6,8H2,1H3,(H,19,20,23);9H,1-8H2,(H,21,22,25)/b26-16-;;;;;;;
InChIKeyRWJLHZCEFNLWTO-GZXPNYBZSA-N
MW3252.42 g/mol
LogP22.54
Rot. Bonds44

About 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 160747492) has the molecular formula C158H176F5N27O40S2 and a molecular weight of 3252.42 g/mol. Its IUPAC name is 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID160747492
Molecular FormulaC158H176F5N27O40S2
Molecular Weight3252.42 g/mol
Exact Mass3250.19
IUPAC Name2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC4CC4)c3c(=O)[nH]2)CC1.CCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC4CC4)c3c(=O)[nH]2)CC1.CCc1cc(=O)oc2nc(ON=C3CCC(S(=O)(=O)Cc4ccc(F)cc4)CC3)[nH]c(=O)c12.CCc1cc(=O)oc2nc(ON=C3CCCC4=C3C=CC4)[nH]c(=O)c12.CCc1cc(=O)oc2nc(ON=C3CCN(S(=O)(=O)CC4CCCCC4)CC3)[nH]c(=O)c12.O=c1cc(CCCC(F)(F)F)c2c(=O)[nH]c(ON=C3CCCCC3)nc2o1.O=c1cc(CCCC2CC2)c2c(=O)[nH]c(ON=C3CCCCC3)nc2o1.O=c1cc(Cc2cccc(F)c2)c2c(=O)[nH]c(ON=C3CCCC3)nc2o1
InChIInChI=1S/C22H22FN3O6S.C21H28N4O6S.2C21H26N4O6.C19H16FN3O4.C19H23N3O4.C18H17N3O4.C17H18F3N3O4/c1-2-14-11-18(27)31-21-19(14)20(28)24-22(25-21)32-26-16-7-9-17(10-8-16)33(29,30)12-13-3-5-15(23)6-4-13;1-2-15-12-17(26)30-20-18(15)19(27)22-21(23-20)31-24-16-8-10-25(11-9-16)32(28,29)13-14-6-4-3-5-7-14;2*1-2-29-21(28)25-10-8-15(9-11-25)24-31-20-22-18(27)17-14(5-3-4-13-6-7-13)12-16(26)30-19(17)23-20;20-13-5-3-4-11(9-13)8-12-10-15(24)26-18-16(12)17(25)21-19(22-18)27-23-14-6-1-2-7-14;23-15-11-13(6-4-5-12-9-10-12)16-17(24)20-19(21-18(16)25-15)26-22-14-7-2-1-3-8-14;1-2-10-9-14(22)24-17-15(10)16(23)19-18(20-17)25-21-13-8-4-6-11-5-3-7-12(11)13;18-17(19,20)8-4-5-10-9-12(24)26-15-13(10)14(25)21-16(22-15)27-23-11-6-2-1-3-7-11/h3-6,11,17H,2,7-10,12H2,1H3,(H,24,25,28);12,14H,2-11,13H2,1H3,(H,22,23,27);2*12-13H,2-11H2,1H3,(H,22,23,27);3-5,9-10H,1-2,6-8H2,(H,21,22,25);11-12H,1-10H2,(H,20,21,24);3,7,9H,2,4-6,8H2,1H3,(H,19,20,23);9H,1-8H2,(H,21,22,25)/b26-16-;;;;;;;
InChIKeyRWJLHZCEFNLWTO-GZXPNYBZSA-N
XLogP22.54
TPSA911.00 Ų
H-Bond Donors8
H-Bond Acceptors56
Rotatable Bonds44
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003252.42
LogP ≤ 522.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 160747492) is 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC4CC4)c3c(=O)[nH]2)CC1.CCOC(=O)N1CCC(=NOc2nc3oc(=O)cc(CCCC4CC4)c3c(=O)[nH]2)CC1.CCc1cc(=O)oc2nc(ON=C3CCC(S(=O)(=O)Cc4ccc(F)cc4)CC3)[nH]c(=O)c12.CCc1cc(=O)oc2nc(ON=C3CCCC4=C3C=CC4)[nH]c(=O)c12.CCc1cc(=O)oc2nc(ON=C3CCN(S(=O)(=O)CC4CCCCC4)CC3)[nH]c(=O)c12.O=c1cc(CCCC(F)(F)F)c2c(=O)[nH]c(ON=C3CCCCC3)nc2o1.O=c1cc(CCCC2CC2)c2c(=O)[nH]c(ON=C3CCCCC3)nc2o1.O=c1cc(Cc2cccc(F)c2)c2c(=O)[nH]c(ON=C3CCCC3)nc2o1.
What is the InChIKey of 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RWJLHZCEFNLWTO-GZXPNYBZSA-N. The full InChI is InChI=1S/C22H22FN3O6S.C21H28N4O6S.2C21H26N4O6.C19H16FN3O4.C19H23N3O4.C18H17N3O4.C17H18F3N3O4/c1-2-14-11-18(27)31-21-19(14)20(28)24-22(25-21)32-26-16-7-9-17(10-8-16)33(29,30)12-13-3-5-15(23)6-4-13;1-2-15-12-17(26)30-20-18(15)19(27)22-21(23-20)31-24-16-8-10-25(11-9-16)32(28,29)13-14-6-4-3-5-7-14;2*1-2-29-21(28)25-10-8-15(9-11-25)24-31-20-22-18(27)17-14(5-3-4-13-6-7-13)12-16(26)30-19(17)23-20;20-13-5-3-4-11(9-13)8-12-10-15(24)26-18-16(12)17(25)21-19(22-18)27-23-14-6-1-2-7-14;23-15-11-13(6-4-5-12-9-10-12)16-17(24)20-19(21-18(16)25-15)26-22-14-7-2-1-3-8-14;1-2-10-9-14(22)24-17-15(10)16(23)19-18(20-17)25-21-13-8-4-6-11-5-3-7-12(11)13;18-17(19,20)8-4-5-10-9-12(24)26-15-13(10)14(25)21-16(22-15)27-23-11-6-2-1-3-7-11/h3-6,11,17H,2,7-10,12H2,1H3,(H,24,25,28);12,14H,2-11,13H2,1H3,(H,22,23,27);2*12-13H,2-11H2,1H3,(H,22,23,27);3-5,9-10H,1-2,6-8H2,(H,21,22,25);11-12H,1-10H2,(H,20,21,24);3,7,9H,2,4-6,8H2,1H3,(H,19,20,23);9H,1-8H2,(H,21,22,25)/b26-16-;;;;;;;.
What are the key properties of 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 3252.42 g/mol, XLogP of 22.54, 44 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylideneamino)oxy-5-(3-cyclopropylpropyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclohexylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(cyclohexylmethylsulfonyl)piperidin-4-ylidene]amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-(cyclopentylideneamino)oxy-5-[(3-fluorophenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione;bis(ethyl 4-[[5-(3-cyclopropylpropyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxyimino]piperidine-1-carboxylate);5-ethyl-2-[[4-[(4-fluorophenyl)methylsulfonyl]cyclohexylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-ethyl-2-(1,5,6,7-tetrahydroinden-4-ylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 160747492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).