[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide

C130H146N33O21S11+3 — CID 167555344

IUPAC[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2O)cc1Nc1cnc(-c2coc3c(=O)cc(N4CCOCC4)sc23)s1.NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2O)cc1Nc1cnc(-c2csc3c(=O)cc(N4CCOCC4)oc23)s1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cc(-c2coc3c(=O)cc(N4CCOCC4)sc23)sn1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cc(-c2csc3c(=O)cc(N4CCOCC4)sc23)sn1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cnc(-c2coc3c(=O)cc(N4CCOCC4)sc23)s1
InChIInChI=1S/2C26H29N7O4S2.C26H29N7O3S3.2C26H28N6O5S2/c27-16-3-1-2-4-17(16)30-14-9-18(23(26(28)35)29-12-14)31-21-11-20(39-32-21)15-13-37-24-19(34)10-22(38-25(15)24)33-5-7-36-8-6-33;27-16-3-1-2-4-17(16)31-14-9-18(22(25(28)35)29-11-14)32-20-12-30-26(38-20)15-13-37-23-19(34)10-21(39-24(15)23)33-5-7-36-8-6-33;27-16-3-1-2-4-17(16)30-14-9-18(23(26(28)35)29-12-14)31-21-11-20(39-32-21)15-13-37-25-19(34)10-22(38-24(15)25)33-5-7-36-8-6-33;27-25(35)22-17(9-14(11-28-22)30-16-3-1-2-4-18(16)33)31-20-12-29-26(38-20)15-13-37-23-19(34)10-21(39-24(15)23)32-5-7-36-8-6-32;27-25(35)22-17(9-14(11-28-22)30-16-3-1-2-4-18(16)33)31-20-12-29-26(39-20)15-13-38-24-19(34)10-21(37-23(15)24)32-5-7-36-8-6-32/h9-13,16-17,30H,1-8,27H2,(H2,28,35)(H,31,32);9-13,16-17,31-32H,1-8,27H2,(H2,28,35);9-13,16-17,30H,1-8,27H2,(H2,28,35)(H,31,32);2*9-13,16,18,30-31,33H,1-8H2,(H2,27,35)/p+3/t3*16-,17+;2*16-,18+/m11111/s1
InChIKeyCYBXWWCSVZMEJQ-QPKVDOKFSA-Q
MW2859.54 g/mol
LogP17.05
Rot. Bonds35

About [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide

[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide (PubChem CID 167555344) has the molecular formula C130H146N33O21S11+3 and a molecular weight of 2859.54 g/mol. Its IUPAC name is [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide
PubChem CID167555344
Molecular FormulaC130H146N33O21S11+3
Molecular Weight2859.54 g/mol
Exact Mass2856.83
IUPAC Name[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2O)cc1Nc1cnc(-c2coc3c(=O)cc(N4CCOCC4)sc23)s1.NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2O)cc1Nc1cnc(-c2csc3c(=O)cc(N4CCOCC4)oc23)s1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cc(-c2coc3c(=O)cc(N4CCOCC4)sc23)sn1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cc(-c2csc3c(=O)cc(N4CCOCC4)sc23)sn1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cnc(-c2coc3c(=O)cc(N4CCOCC4)sc23)s1
InChIInChI=1S/2C26H29N7O4S2.C26H29N7O3S3.2C26H28N6O5S2/c27-16-3-1-2-4-17(16)30-14-9-18(23(26(28)35)29-12-14)31-21-11-20(39-32-21)15-13-37-24-19(34)10-22(38-25(15)24)33-5-7-36-8-6-33;27-16-3-1-2-4-17(16)31-14-9-18(22(25(28)35)29-11-14)32-20-12-30-26(38-20)15-13-37-23-19(34)10-21(39-24(15)23)33-5-7-36-8-6-33;27-16-3-1-2-4-17(16)30-14-9-18(23(26(28)35)29-12-14)31-21-11-20(39-32-21)15-13-37-25-19(34)10-22(38-24(15)25)33-5-7-36-8-6-33;27-25(35)22-17(9-14(11-28-22)30-16-3-1-2-4-18(16)33)31-20-12-29-26(38-20)15-13-37-23-19(34)10-21(39-24(15)23)32-5-7-36-8-6-32;27-25(35)22-17(9-14(11-28-22)30-16-3-1-2-4-18(16)33)31-20-12-29-26(39-20)15-13-38-24-19(34)10-21(37-23(15)24)32-5-7-36-8-6-32/h9-13,16-17,30H,1-8,27H2,(H2,28,35)(H,31,32);9-13,16-17,31-32H,1-8,27H2,(H2,28,35);9-13,16-17,30H,1-8,27H2,(H2,28,35)(H,31,32);2*9-13,16,18,30-31,33H,1-8H2,(H2,27,35)/p+3/t3*16-,17+;2*16-,18+/m11111/s1
InChIKeyCYBXWWCSVZMEJQ-QPKVDOKFSA-Q
XLogP17.05
TPSA788.29 Ų
H-Bond Donors20
H-Bond Acceptors57
Rotatable Bonds35
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002859.54
LogP ≤ 517.05
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1057

Analyze [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide?
The IUPAC name of [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide (CID 167555344) is [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide is NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2O)cc1Nc1cnc(-c2coc3c(=O)cc(N4CCOCC4)sc23)s1.NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2O)cc1Nc1cnc(-c2csc3c(=O)cc(N4CCOCC4)oc23)s1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cc(-c2coc3c(=O)cc(N4CCOCC4)sc23)sn1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cc(-c2csc3c(=O)cc(N4CCOCC4)sc23)sn1.NC(=O)c1ncc(N[C@H]2CCCC[C@H]2[NH3+])cc1Nc1cnc(-c2coc3c(=O)cc(N4CCOCC4)sc23)s1.
What is the InChIKey of [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide?
The InChIKey is CYBXWWCSVZMEJQ-QPKVDOKFSA-Q. The full InChI is InChI=1S/2C26H29N7O4S2.C26H29N7O3S3.2C26H28N6O5S2/c27-16-3-1-2-4-17(16)30-14-9-18(23(26(28)35)29-12-14)31-21-11-20(39-32-21)15-13-37-24-19(34)10-22(38-25(15)24)33-5-7-36-8-6-33;27-16-3-1-2-4-17(16)31-14-9-18(22(25(28)35)29-11-14)32-20-12-30-26(38-20)15-13-37-23-19(34)10-21(39-24(15)23)33-5-7-36-8-6-33;27-16-3-1-2-4-17(16)30-14-9-18(23(26(28)35)29-12-14)31-21-11-20(39-32-21)15-13-37-25-19(34)10-22(38-24(15)25)33-5-7-36-8-6-33;27-25(35)22-17(9-14(11-28-22)30-16-3-1-2-4-18(16)33)31-20-12-29-26(38-20)15-13-37-23-19(34)10-21(39-24(15)23)32-5-7-36-8-6-32;27-25(35)22-17(9-14(11-28-22)30-16-3-1-2-4-18(16)33)31-20-12-29-26(39-20)15-13-38-24-19(34)10-21(37-23(15)24)32-5-7-36-8-6-32/h9-13,16-17,30H,1-8,27H2,(H2,28,35)(H,31,32);9-13,16-17,31-32H,1-8,27H2,(H2,28,35);9-13,16-17,30H,1-8,27H2,(H2,28,35)(H,31,32);2*9-13,16,18,30-31,33H,1-8H2,(H2,27,35)/p+3/t3*16-,17+;2*16-,18+/m11111/s1.
What are the key properties of [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide?
[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide has a molecular weight of 2859.54 g/mol, XLogP of 17.05, 35 rotatable bonds, 20 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[6-carbamoyl-5-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-thiazol-3-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide;5-[[(1R,2S)-2-hydroxycyclohexyl]amino]-3-[[2-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-5-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167555344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).