N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide

C238H270Cl16N40O40 — CID 167533576

About N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide

N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide (PubChem CID 167533576) has the molecular formula C238H270Cl16N40O40 and a molecular weight of 4898.27 g/mol. Its IUPAC name is N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide
• PubChem CID: 167533576
• Molecular Formula: C238H270Cl16N40O40
• Molecular Weight: 4898.27 g/mol
• Exact Mass: 4887.53
• IUPAC Name: N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide
• SMILES: C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC(C)(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC(C)OC(C)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC4(CCOC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC4(CCOCC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC4(COC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CCC(C)(O)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CCC(C)(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CCC(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
• InChI: InChI=1S/C31H35Cl2N5O5.C30H33Cl2N5O5.3C30H35Cl2N5O5.C29H31Cl2N5O5.2C29H33Cl2N5O5/c1-4-26(39)36-20-5-8-43-15-22(20)35-25-12-19-18(14-34-25)11-21(27-28(32)23(40-2)13-24(41-3)29(27)33)37-30(19)38-16-31(17-38)6-9-42-10-7-31;1-4-25(38)35-19-5-7-41-13-21(19)34-24-10-18-17(12-33-24)9-20(26-27(31)22(39-2)11-23(40-3)28(26)32)36-29(18)37-14-30(15-37)6-8-42-16-30;1-6-25(38)35-19-7-10-42-15-21(19)34-24-12-18-17(14-33-24)11-20(36-29(18)37-9-8-30(2,16-37)41-5)26-27(31)22(39-3)13-23(40-4)28(26)32;1-6-26(38)35-20-7-8-41-15-22(20)34-25-10-19-18(12-33-25)9-21(36-30(19)37-13-16(2)42-17(3)14-37)27-28(31)23(39-4)11-24(40-5)29(27)32;1-5-25(38)35-19-6-11-42-16-21(19)34-24-13-18-17(15-33-24)12-20(36-29(18)37-9-7-30(2,39)8-10-37)26-27(31)22(40-3)14-23(41-4)28(26)32;1-4-24(37)34-18-5-6-40-11-20(18)33-23-8-17-16(10-32-23)7-19(35-28(17)36-12-29(13-36)14-41-15-29)25-26(30)21(38-2)9-22(39-3)27(25)31;1-6-24(37)34-18-7-8-41-13-20(18)33-23-10-17-16(12-32-23)9-19(35-28(17)36-14-29(2,15-36)40-5)25-26(30)21(38-3)11-22(39-4)27(25)31;1-5-25(37)34-19-7-9-41-15-21(19)33-24-11-18-16(13-32-24)10-20(35-29(18)36-8-6-17(14-36)38-2)26-27(30)22(39-3)12-23(40-4)28(26)31/h4,11-14,20,22H,1,5-10,15-17H2,2-3H3,(H,34,35)(H,36,39);4,9-12,19,21H,1,5-8,13-16H2,2-3H3,(H,33,34)(H,35,38);6,11-14,19,21H,1,7-10,15-16H2,2-5H3,(H,33,34)(H,35,38);6,9-12,16-17,20,22H,1,7-8,13-15H2,2-5H3,(H,33,34)(H,35,38);5,12-15,19,21,39H,1,6-11,16H2,2-4H3,(H,33,34)(H,35,38);4,7-10,18,20H,1,5-6,11-15H2,2-3H3,(H,32,33)(H,34,37);6,9-12,18,20H,1,7-8,13-15H2,2-5H3,(H,32,33)(H,34,37);5,10-13,17,19,21H,1,6-9,14-15H2,2-4H3,(H,32,33)(H,34,37)/t20-,22+;19-,21+;19-,21+,30?;16?,17?,20-,22+;19-,21+;2*18-,20+;17?,19-,21+/m00000000/s1
• InChIKey: AHDYKDABWTWDDV-PHKSJTLBSA-N
• XLogP: 38.65
• TPSA: 867.56 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 72
• Rotatable Bonds: 67
• Heavy Atoms: 334
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4898.27
LogP ≤ 5	38.65
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	72

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide?

The IUPAC name of N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide (CID 167533576) is N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide.

What is the SMILES notation for N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide?

The canonical SMILES for N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide is C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC(C)(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC(C)OC(C)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC4(CCOC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC4(CCOCC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CC4(COC4)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CCC(C)(O)CC3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CCC(C)(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.C=CC(=O)N[C@H]1CCOC[C@H]1Nc1cc2c(N3CCC(OC)C3)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.

What is the InChIKey of N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide?

The InChIKey is AHDYKDABWTWDDV-PHKSJTLBSA-N. The full InChI is InChI=1S/C31H35Cl2N5O5.C30H33Cl2N5O5.3C30H35Cl2N5O5.C29H31Cl2N5O5.2C29H33Cl2N5O5/c1-4-26(39)36-20-5-8-43-15-22(20)35-25-12-19-18(14-34-25)11-21(27-28(32)23(40-2)13-24(41-3)29(27)33)37-30(19)38-16-31(17-38)6-9-42-10-7-31;1-4-25(38)35-19-5-7-41-13-21(19)34-24-10-18-17(12-33-24)9-20(26-27(31)22(39-2)11-23(40-3)28(26)32)36-29(18)37-14-30(15-37)6-8-42-16-30;1-6-25(38)35-19-7-10-42-15-21(19)34-24-12-18-17(14-33-24)11-20(36-29(18)37-9-8-30(2,16-37)41-5)26-27(31)22(39-3)13-23(40-4)28(26)32;1-6-26(38)35-20-7-8-41-15-22(20)34-25-10-19-18(12-33-25)9-21(36-30(19)37-13-16(2)42-17(3)14-37)27-28(31)23(39-4)11-24(40-5)29(27)32;1-5-25(38)35-19-6-11-42-16-21(19)34-24-13-18-17(15-33-24)12-20(36-29(18)37-9-7-30(2,39)8-10-37)26-27(31)22(40-3)14-23(41-4)28(26)32;1-4-24(37)34-18-5-6-40-11-20(18)33-23-8-17-16(10-32-23)7-19(35-28(17)36-12-29(13-36)14-41-15-29)25-26(30)21(38-2)9-22(39-3)27(25)31;1-6-24(37)34-18-7-8-41-13-20(18)33-23-10-17-16(12-32-23)9-19(35-28(17)36-14-29(2,15-36)40-5)25-26(30)21(38-3)11-22(39-4)27(25)31;1-5-25(37)34-19-7-9-41-15-21(19)33-24-11-18-16(13-32-24)10-20(35-29(18)36-8-6-17(14-36)38-2)26-27(30)22(39-3)12-23(40-4)28(26)31/h4,11-14,20,22H,1,5-10,15-17H2,2-3H3,(H,34,35)(H,36,39);4,9-12,19,21H,1,5-8,13-16H2,2-3H3,(H,33,34)(H,35,38);6,11-14,19,21H,1,7-10,15-16H2,2-5H3,(H,33,34)(H,35,38);6,9-12,16-17,20,22H,1,7-8,13-15H2,2-5H3,(H,33,34)(H,35,38);5,12-15,19,21,39H,1,6-11,16H2,2-4H3,(H,33,34)(H,35,38);4,7-10,18,20H,1,5-6,11-15H2,2-3H3,(H,32,33)(H,34,37);6,9-12,18,20H,1,7-8,13-15H2,2-5H3,(H,32,33)(H,34,37);5,10-13,17,19,21H,1,6-9,14-15H2,2-4H3,(H,32,33)(H,34,37)/t20-,22+;19-,21+;19-,21+,30?;16?,17?,20-,22+;19-,21+;2*18-,20+;17?,19-,21+/m00000000/s1.

What are the key properties of N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide?

N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide has a molecular weight of 4898.27 g/mol, XLogP of 38.65, 67 rotatable bonds, 17 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylazetidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxy-3-methylpyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3-methoxypyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide;N-[(3S,4S)-3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxan-4-yl]prop-2-enamide is sourced from PubChem (CID 167533576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).