N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

C168H169F12N25O18 — CID 157182730

IUPACN-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C(C)(C)C2O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C(C)(C)C2O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(c1)N1CCOC[C@H]1C1(COC1)C2
InChIInChI=1S/C30H31N5O3.C28H28F2N4O3.2C28H30F2N4O3.2C27H25F3N4O3/c1-19-4-5-22(34-28(36)20-6-7-32-26(11-20)29(2,3)16-31)12-23(19)21-10-25-24(33-14-21)13-30(17-38-18-30)27-15-37-9-8-35(25)27;1-17-3-4-20(33-26(35)18-5-6-31-24(10-18)27(2,29)30)11-21(17)19-9-23-22(32-13-19)12-28(15-37-16-28)25-14-36-8-7-34(23)25;2*1-16-5-6-19(33-26(36)17-7-8-31-22(12-17)28(4,29)30)13-20(16)18-11-21-24(32-14-18)25(35)27(2,3)23-15-37-10-9-34(21)23;2*1-16-2-3-19(33-25(35)17-4-5-31-23(9-17)27(28,29)30)10-20(16)18-8-22-21(32-12-18)11-26(14-37-15-26)24-13-36-7-6-34(22)24/h4-7,10-12,14,27H,8-9,13,15,17-18H2,1-3H3,(H,34,36);3-6,9-11,13,25H,7-8,12,14-16H2,1-2H3,(H,33,35);2*5-8,11-14,23,25,35H,9-10,15H2,1-4H3,(H,33,36);2*2-5,8-10,12,24H,6-7,11,13-15H2,1H3,(H,33,35)/t;;;;24-;/m....0./s1
InChIKeyAOTFDWZMAIFSSU-RCFRHWAUSA-N
MW3054.33 g/mol
LogP28.07
Rot. Bonds22

About N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157182730) has the molecular formula C168H169F12N25O18 and a molecular weight of 3054.33 g/mol. Its IUPAC name is N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID157182730
Molecular FormulaC168H169F12N25O18
Molecular Weight3054.33 g/mol
Exact Mass3052.29
IUPAC NameN-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C(C)(C)C2O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C(C)(C)C2O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(c1)N1CCOC[C@H]1C1(COC1)C2
InChIInChI=1S/C30H31N5O3.C28H28F2N4O3.2C28H30F2N4O3.2C27H25F3N4O3/c1-19-4-5-22(34-28(36)20-6-7-32-26(11-20)29(2,3)16-31)12-23(19)21-10-25-24(33-14-21)13-30(17-38-18-30)27-15-37-9-8-35(25)27;1-17-3-4-20(33-26(35)18-5-6-31-24(10-18)27(2,29)30)11-21(17)19-9-23-22(32-13-19)12-28(15-37-16-28)25-14-36-8-7-34(23)25;2*1-16-5-6-19(33-26(36)17-7-8-31-22(12-17)28(4,29)30)13-20(16)18-11-21-24(32-14-18)25(35)27(2,3)23-15-37-10-9-34(21)23;2*1-16-2-3-19(33-25(35)17-4-5-31-23(9-17)27(28,29)30)10-20(16)18-8-22-21(32-12-18)11-26(14-37-15-26)24-13-36-7-6-34(22)24/h4-7,10-12,14,27H,8-9,13,15,17-18H2,1-3H3,(H,34,36);3-6,9-11,13,25H,7-8,12,14-16H2,1-2H3,(H,33,35);2*5-8,11-14,23,25,35H,9-10,15H2,1-4H3,(H,33,36);2*2-5,8-10,12,24H,6-7,11,13-15H2,1H3,(H,33,35)/t;;;;24-;/m....0./s1
InChIKeyAOTFDWZMAIFSSU-RCFRHWAUSA-N
XLogP28.07
TPSA505.27 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003054.33
LogP ≤ 528.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Analyze N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

US10377770, Example 101
CID 129248485
US10377770, Example 160
CID 129248557
US10377770, Example 334
CID 129248675
US10377770, Example 103
CID 129271588
US10377770, Example 102
CID 129271592
US10377770, Example 140
CID 129271621
US10377770, Example 141
CID 129271622
US10377770, Example 169
CID 129271630
US10377770, Example 161
CID 129271632
US10377770, Example 41
CID 129271639
US10377770, Example 513
CID 129271729
US10377770, Example 163
CID 129271829

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide (CID 157182730) is N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C(C)(C)C2O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C(C)(C)C2O.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(c1)N1CCOCC1C1(COC1)C2.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc2c(c1)N1CCOC[C@H]1C1(COC1)C2.
What is the InChIKey of N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is AOTFDWZMAIFSSU-RCFRHWAUSA-N. The full InChI is InChI=1S/C30H31N5O3.C28H28F2N4O3.2C28H30F2N4O3.2C27H25F3N4O3/c1-19-4-5-22(34-28(36)20-6-7-32-26(11-20)29(2,3)16-31)12-23(19)21-10-25-24(33-14-21)13-30(17-38-18-30)27-15-37-9-8-35(25)27;1-17-3-4-20(33-26(35)18-5-6-31-24(10-18)27(2,29)30)11-21(17)19-9-23-22(32-13-19)12-28(15-37-16-28)25-14-36-8-7-34(23)25;2*1-16-5-6-19(33-26(36)17-7-8-31-22(12-17)28(4,29)30)13-20(16)18-11-21-24(32-14-18)25(35)27(2,3)23-15-37-10-9-34(21)23;2*1-16-2-3-19(33-25(35)17-4-5-31-23(9-17)27(28,29)30)10-20(16)18-8-22-21(32-12-18)11-26(14-37-15-26)24-13-36-7-6-34(22)24/h4-7,10-12,14,27H,8-9,13,15,17-18H2,1-3H3,(H,34,36);3-6,9-11,13,25H,7-8,12,14-16H2,1-2H3,(H,33,35);2*5-8,11-14,23,25,35H,9-10,15H2,1-4H3,(H,33,36);2*2-5,8-10,12,24H,6-7,11,13-15H2,1H3,(H,33,35)/t;;;;24-;/m....0./s1.
What are the key properties of N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 3054.33 g/mol, XLogP of 28.07, 22 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aR)-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;bis(2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-5,5-dimethyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide);2-(1,1-difluoroethyl)-N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)pyridine-4-carboxamide;N-(4-methyl-3-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157182730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).