N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C92H98F4N10O25 — CID 158815598

About N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 158815598) has the molecular formula C92H98F4N10O25 and a molecular weight of 1819.83 g/mol. Its IUPAC name is N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• PubChem CID: 158815598
• Molecular Formula: C92H98F4N10O25
• Molecular Weight: 1819.83 g/mol
• Exact Mass: 1818.66
• IUPAC Name: N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
• SMILES: CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4C[C@H]3C[C@@H]12.COc1ccc(-c2cc(CCC(C)CF)c(O)c3c2C[C@H]2C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cn1.C[C@H]1c2ccc(CN3CCC(C(F)(F)F)CC3)c(O)c2C(O)=C2C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)C3C(O)C21
• InChI: InChI=1S/C32H36FN3O8.C31H28N4O9.C29H34F3N3O8/c1-14(12-33)5-6-15-9-18(16-7-8-21(44-4)35-13-16)19-10-17-11-20-25(36(2)3)28(39)24(31(34)42)30(41)32(20,43)29(40)22(17)27(38)23(19)26(15)37;1-35(2)24-18-12-14-11-17-16(13-3-5-15(6-4-13)34-30(42)20-9-10-33-44-20)7-8-19(36)22(17)25(37)21(14)27(39)31(18,43)28(40)23(26(24)38)29(32)41;1-11-14-5-4-12(10-35-8-6-13(7-9-35)29(30,31)32)21(36)16(14)22(37)17-15(11)23(38)19-20(34(2)3)24(39)18(27(33)42)26(41)28(19,43)25(17)40/h7-9,13-14,17,20,25,37-38,41,43H,5-6,10-12H2,1-4H3,(H2,34,42);3-10,14,18,24,36-37,40,43H,11-12H2,1-2H3,(H2,32,41)(H,34,42);4-5,11,13,15,19-20,23,36-38,41,43H,6-10H2,1-3H3,(H2,33,42)/t14?,17-,20-,25-,32-;14-,18-,24-,31-;11-,15?,19?,20-,23?,28-/m000/s1
• InChIKey: NZMLNWDOSHFNGW-MINLNQNESA-N
• XLogP: 5.71
• TPSA: 584.89 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.83
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The IUPAC name of N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 158815598) is N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

What is the SMILES notation for N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The canonical SMILES for N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4C[C@H]3C[C@@H]12.COc1ccc(-c2cc(CCC(C)CF)c(O)c3c2C[C@H]2C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cn1.C[C@H]1c2ccc(CN3CCC(C(F)(F)F)CC3)c(O)c2C(O)=C2C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)C3C(O)C21.

What is the InChIKey of N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

The InChIKey is NZMLNWDOSHFNGW-MINLNQNESA-N. The full InChI is InChI=1S/C32H36FN3O8.C31H28N4O9.C29H34F3N3O8/c1-14(12-33)5-6-15-9-18(16-7-8-21(44-4)35-13-16)19-10-17-11-20-25(36(2)3)28(39)24(31(34)42)30(41)32(20,43)29(40)22(17)27(38)23(19)26(15)37;1-35(2)24-18-12-14-11-17-16(13-3-5-15(6-4-13)34-30(42)20-9-10-33-44-20)7-8-19(36)22(17)25(37)21(14)27(39)31(18,43)28(40)23(26(24)38)29(32)41;1-11-14-5-4-12(10-35-8-6-13(7-9-35)29(30,31)32)21(36)16(14)22(37)17-15(11)23(38)19-20(34(2)3)24(39)18(27(33)42)26(41)28(19,43)25(17)40/h7-9,13-14,17,20,25,37-38,41,43H,5-6,10-12H2,1-4H3,(H2,34,42);3-10,14,18,24,36-37,40,43H,11-12H2,1-2H3,(H2,32,41)(H,34,42);4-5,11,13,15,19-20,23,36-38,41,43H,6-10H2,1-3H3,(H2,33,42)/t14?,17-,20-,25-,32-;14-,18-,24-,31-;11-,15?,19?,20-,23?,28-/m000/s1.

What are the key properties of N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?

N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 1819.83 g/mol, XLogP of 5.71, 17 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-9-(4-fluoro-3-methylbutyl)-1,10,11,12a-tetrahydroxy-7-(6-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,5S,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-9-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 158815598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).