2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C161H208FN25O17S7 — CID 160860744

IUPAC2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESC=CC(=O)Nc1ccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.CC1(C)Cc2c(C#N)c(SCCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1.CC1CN(c2nc(SCCc3ccc(N=C(N)N)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.CC1CN(c2nc(SCCc3ccc(NS(C)(=O)=O)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.COCCN1C(C)CN(c2nc(SCCc3ccc(OC)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C.COCCN1C(C)CN(c2nc(SCCc3cccc(OC)c3)c(C#N)c3c2COC(C)(C)C3)CC1C
InChIInChI=1S/2C29H40N4O3S.C28H34N4O3S.C26H34N6O2S.C26H34N4O4S2.C23H26FN3O2S/c1-20-17-32(18-21(2)33(20)12-13-34-5)27-26-19-36-29(3,4)15-24(26)25(16-30)28(31-27)37-14-11-22-7-9-23(35-6)10-8-22;1-20-17-32(18-21(2)33(20)11-12-34-5)27-26-19-36-29(3,4)15-24(26)25(16-30)28(31-27)37-13-10-22-8-7-9-23(14-22)35-6;1-6-25(33)30-21-9-7-20(8-10-21)11-12-36-27-23(14-29)22-13-28(4,5)34-17-24(22)26(31-27)32-15-18(2)35-19(3)16-32;1-16-13-32(14-17(2)34-16)23-22-15-33-26(3,4)11-20(22)21(12-27)24(31-23)35-10-9-18-5-7-19(8-6-18)30-25(28)29;1-17-14-30(15-18(2)34-17)24-23-16-33-26(3,4)12-21(23)22(13-27)25(28-24)35-11-10-19-6-8-20(9-7-19)29-36(5,31)32;1-23(2)13-18-19(14-25)22(30-12-7-16-3-5-17(24)6-4-16)26-21(20(18)15-29-23)27-8-10-28-11-9-27/h7-10,20-21H,11-15,17-19H2,1-6H3;7-9,14,20-21H,10-13,15,17-19H2,1-6H3;6-10,18-19H,1,11-13,15-17H2,2-5H3,(H,30,33);5-8,16-17H,9-11,13-15H2,1-4H3,(H4,28,29,30);6-9,17-18,29H,10-12,14-16H2,1-5H3;3-6H,7-13,15H2,1-2H3
InChIKeySKLIDFHUMYGDIL-UHFFFAOYSA-N
MW3009.06 g/mol
LogP26.16
Rot. Bonds43

About 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 160860744) has the molecular formula C161H208FN25O17S7 and a molecular weight of 3009.06 g/mol. Its IUPAC name is 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID160860744
Molecular FormulaC161H208FN25O17S7
Molecular Weight3009.06 g/mol
Exact Mass3006.42
IUPAC Name2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESC=CC(=O)Nc1ccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.CC1(C)Cc2c(C#N)c(SCCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1.CC1CN(c2nc(SCCc3ccc(N=C(N)N)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.CC1CN(c2nc(SCCc3ccc(NS(C)(=O)=O)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.COCCN1C(C)CN(c2nc(SCCc3ccc(OC)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C.COCCN1C(C)CN(c2nc(SCCc3cccc(OC)c3)c(C#N)c3c2COC(C)(C)C3)CC1C
InChIInChI=1S/2C29H40N4O3S.C28H34N4O3S.C26H34N6O2S.C26H34N4O4S2.C23H26FN3O2S/c1-20-17-32(18-21(2)33(20)12-13-34-5)27-26-19-36-29(3,4)15-24(26)25(16-30)28(31-27)37-14-11-22-7-9-23(35-6)10-8-22;1-20-17-32(18-21(2)33(20)11-12-34-5)27-26-19-36-29(3,4)15-24(26)25(16-30)28(31-27)37-13-10-22-8-7-9-23(14-22)35-6;1-6-25(33)30-21-9-7-20(8-10-21)11-12-36-27-23(14-29)22-13-28(4,5)34-17-24(22)26(31-27)32-15-18(2)35-19(3)16-32;1-16-13-32(14-17(2)34-16)23-22-15-33-26(3,4)11-20(22)21(12-27)24(31-23)35-10-9-18-5-7-19(8-6-18)30-25(28)29;1-17-14-30(15-18(2)34-17)24-23-16-33-26(3,4)12-21(23)22(13-27)25(28-24)35-11-10-19-6-8-20(9-7-19)29-36(5,31)32;1-23(2)13-18-19(14-25)22(30-12-7-16-3-5-17(24)6-4-16)26-21(20(18)15-29-23)27-8-10-28-11-9-27/h7-10,20-21H,11-15,17-19H2,1-6H3;7-9,14,20-21H,10-13,15,17-19H2,1-6H3;6-10,18-19H,1,11-13,15-17H2,2-5H3,(H,30,33);5-8,16-17H,9-11,13-15H2,1-4H3,(H4,28,29,30);6-9,17-18,29H,10-12,14-16H2,1-5H3;3-6H,7-13,15H2,1-2H3
InChIKeySKLIDFHUMYGDIL-UHFFFAOYSA-N
XLogP26.16
TPSA514.89 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds43
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003009.06
LogP ≤ 526.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 160860744) is 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is C=CC(=O)Nc1ccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.CC1(C)Cc2c(C#N)c(SCCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1.CC1CN(c2nc(SCCc3ccc(N=C(N)N)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.CC1CN(c2nc(SCCc3ccc(NS(C)(=O)=O)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.COCCN1C(C)CN(c2nc(SCCc3ccc(OC)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C.COCCN1C(C)CN(c2nc(SCCc3cccc(OC)c3)c(C#N)c3c2COC(C)(C)C3)CC1C.
What is the InChIKey of 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is SKLIDFHUMYGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H40N4O3S.C28H34N4O3S.C26H34N6O2S.C26H34N4O4S2.C23H26FN3O2S/c1-20-17-32(18-21(2)33(20)12-13-34-5)27-26-19-36-29(3,4)15-24(26)25(16-30)28(31-27)37-14-11-22-7-9-23(35-6)10-8-22;1-20-17-32(18-21(2)33(20)11-12-34-5)27-26-19-36-29(3,4)15-24(26)25(16-30)28(31-27)37-13-10-22-8-7-9-23(14-22)35-6;1-6-25(33)30-21-9-7-20(8-10-21)11-12-36-27-23(14-29)22-13-28(4,5)34-17-24(22)26(31-27)32-15-18(2)35-19(3)16-32;1-16-13-32(14-17(2)34-16)23-22-15-33-26(3,4)11-20(22)21(12-27)24(31-23)35-10-9-18-5-7-19(8-6-18)30-25(28)29;1-17-14-30(15-18(2)34-17)24-23-16-33-26(3,4)12-21(23)22(13-27)25(28-24)35-11-10-19-6-8-20(9-7-19)29-36(5,31)32;1-23(2)13-18-19(14-25)22(30-12-7-16-3-5-17(24)6-4-16)26-21(20(18)15-29-23)27-8-10-28-11-9-27/h7-10,20-21H,11-15,17-19H2,1-6H3;7-9,14,20-21H,10-13,15,17-19H2,1-6H3;6-10,18-19H,1,11-13,15-17H2,2-5H3,(H,30,33);5-8,16-17H,9-11,13-15H2,1-4H3,(H4,28,29,30);6-9,17-18,29H,10-12,14-16H2,1-5H3;3-6H,7-13,15H2,1-2H3.
What are the key properties of 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 3009.06 g/mol, XLogP of 26.16, 43 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]guanidine;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide;6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-6-[2-(4-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 160860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).