N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C165H167F14N19O18 — CID 157275979

IUPACN-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOC1CC2COCCN2c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)cnc3C)ccc21.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2(C)O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOC[C@@H]1C[C@]2(C)O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOC[C@H]1C[C@@]2(C)O.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1(C)CC2O.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2(C)O
InChIInChI=1S/3C28H29F2N3O3.2C27H26F3N3O3.C27H28F2N4O3/c3*1-17-4-6-20(32-26(34)19-8-9-31-25(13-19)28(3,29)30)14-22(17)18-5-7-23-24(12-18)33-10-11-36-16-21(33)15-27(23,2)35;1-16-3-5-19(32-25(34)18-7-8-31-24(12-18)27(28,29)30)13-21(16)17-4-6-22-23(11-17)33-9-10-36-15-20(33)14-26(22,2)35;1-16-3-5-19(32-25(35)18-7-8-31-24(12-18)27(28,29)30)13-21(16)17-4-6-20-22(11-17)33-9-10-36-15-26(33,2)14-23(20)34;1-16-22(12-19(14-31-16)32-26(34)18-6-7-30-25(11-18)27(2,28)29)17-4-5-21-23(10-17)33-8-9-36-15-20(33)13-24(21)35-3/h3*4-9,12-14,21,35H,10-11,15-16H2,1-3H3,(H,32,34);3-8,11-13,20,35H,9-10,14-15H2,1-2H3,(H,32,34);3-8,11-13,23,34H,9-10,14-15H2,1-2H3,(H,32,35);4-7,10-12,14,20,24H,8-9,13,15H2,1-3H3,(H,32,34)/t2*21-,27-;;;;/m10..../s1
InChIKeyAZCJTJAUSCNRQF-VBPZUWBSSA-N
MW2970.24 g/mol
LogP31.33
Rot. Bonds23

About N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157275979) has the molecular formula C165H167F14N19O18 and a molecular weight of 2970.24 g/mol. Its IUPAC name is N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID157275979
Molecular FormulaC165H167F14N19O18
Molecular Weight2970.24 g/mol
Exact Mass2968.25
IUPAC NameN-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOC1CC2COCCN2c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)cnc3C)ccc21.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2(C)O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOC[C@@H]1C[C@]2(C)O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOC[C@H]1C[C@@]2(C)O.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1(C)CC2O.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2(C)O
InChIInChI=1S/3C28H29F2N3O3.2C27H26F3N3O3.C27H28F2N4O3/c3*1-17-4-6-20(32-26(34)19-8-9-31-25(13-19)28(3,29)30)14-22(17)18-5-7-23-24(12-18)33-10-11-36-16-21(33)15-27(23,2)35;1-16-3-5-19(32-25(34)18-7-8-31-24(12-18)27(28,29)30)13-21(16)17-4-6-22-23(11-17)33-9-10-36-15-20(33)14-26(22,2)35;1-16-3-5-19(32-25(35)18-7-8-31-24(12-18)27(28,29)30)13-21(16)17-4-6-20-22(11-17)33-9-10-36-15-26(33,2)14-23(20)34;1-16-22(12-19(14-31-16)32-26(34)18-6-7-30-25(11-18)27(2,28)29)17-4-5-21-23(10-17)33-8-9-36-15-20(33)13-24(21)35-3/h3*4-9,12-14,21,35H,10-11,15-16H2,1-3H3,(H,32,34);3-8,11-13,20,35H,9-10,14-15H2,1-2H3,(H,32,34);3-8,11-13,23,34H,9-10,14-15H2,1-2H3,(H,32,35);4-7,10-12,14,20,24H,8-9,13,15H2,1-3H3,(H,32,34)/t2*21-,27-;;;;/m10..../s1
InChIKeyAZCJTJAUSCNRQF-VBPZUWBSSA-N
XLogP31.33
TPSA450.03 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002970.24
LogP ≤ 531.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

US10377770, Example 101
CID 129248485
US10377770, Example 160
CID 129248557
US10377770, Example 4
CID 129248600
US10377770, Example 19
CID 129248607
US10377770, Example 24
CID 129248637
US10377770, Example 30
CID 129248670
US10377770, Example 334
CID 129248675
US10377770, Example 3
CID 129248690
US10377770, Example 5
CID 129248692
US10377770, Example 22
CID 129248892
US10377770, Example 14
CID 129248913
US10377770, Example 103
CID 129271588

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 157275979) is N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COC1CC2COCCN2c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)cnc3C)ccc21.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2(C)O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOC[C@@H]1C[C@]2(C)O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccc2c(c1)N1CCOC[C@H]1C[C@@]2(C)O.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1(C)CC2O.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccc2c(c1)N1CCOCC1CC2(C)O.
What is the InChIKey of N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is AZCJTJAUSCNRQF-VBPZUWBSSA-N. The full InChI is InChI=1S/3C28H29F2N3O3.2C27H26F3N3O3.C27H28F2N4O3/c3*1-17-4-6-20(32-26(34)19-8-9-31-25(13-19)28(3,29)30)14-22(17)18-5-7-23-24(12-18)33-10-11-36-16-21(33)15-27(23,2)35;1-16-3-5-19(32-25(34)18-7-8-31-24(12-18)27(28,29)30)13-21(16)17-4-6-22-23(11-17)33-9-10-36-15-20(33)14-26(22,2)35;1-16-3-5-19(32-25(35)18-7-8-31-24(12-18)27(28,29)30)13-21(16)17-4-6-20-22(11-17)33-9-10-36-15-26(33,2)14-23(20)34;1-16-22(12-19(14-31-16)32-26(34)18-6-7-30-25(11-18)27(2,28)29)17-4-5-21-23(10-17)33-8-9-36-15-20(33)13-24(21)35-3/h3*4-9,12-14,21,35H,10-11,15-16H2,1-3H3,(H,32,34);3-8,11-13,20,35H,9-10,14-15H2,1-2H3,(H,32,34);3-8,11-13,23,34H,9-10,14-15H2,1-2H3,(H,32,35);4-7,10-12,14,20,24H,8-9,13,15H2,1-3H3,(H,32,34)/t2*21-,27-;;;;/m10..../s1.
What are the key properties of N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2970.24 g/mol, XLogP of 31.33, 23 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aR,6R)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-4a-methyl-2,4,5,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157275979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).