1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C112H136Cl2F2N24O14 — CID 159341057

About 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 159341057) has the molecular formula C112H136Cl2F2N24O14 and a molecular weight of 2151.38 g/mol. Its IUPAC name is 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
• PubChem CID: 159341057
• Molecular Formula: C112H136Cl2F2N24O14
• Molecular Weight: 2151.38 g/mol
• Exact Mass: 2149.00
• IUPAC Name: 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
• SMILES: CNCC(O)COc1cc(Cl)cc(-c2nc(-c3ccn4cnnc4c3)c(C)c(N(C)C3CCOCC3)n2)c1.CNCC(O)COc1cc(Cl)cc(-c2nc(-c3cn4ccccc4n3)c(C)c(N(C)C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NCCCN3CCCC3=O)cc(-c3ccc(C(C)(F)F)nc3)n2)c1.CNCC(O)COc1cccc(-c2nc(NCCCN3CCCC3=O)cc(-c3ccc(OC)c(OC)c3)n2)c1
• InChI: InChI=1S/C29H37N5O5.C28H33ClN6O3.C28H34F2N6O3.C27H32ClN7O3/c1-30-18-22(35)19-39-23-8-4-7-21(15-23)29-32-24(20-10-11-25(37-2)26(16-20)38-3)17-27(33-29)31-12-6-14-34-13-5-9-28(34)36;1-18-26(24-16-35-9-5-4-6-25(35)31-24)32-27(33-28(18)34(3)21-7-10-37-11-8-21)19-12-20(29)14-23(13-19)38-17-22(36)15-30-2;1-28(29,30)24-10-9-20(16-33-24)23-15-25(32-11-5-13-36-12-4-8-26(36)38)35-27(34-23)19-6-3-7-22(14-19)39-18-21(37)17-31-2;1-17-25(18-4-7-35-16-30-33-24(35)12-18)31-26(32-27(17)34(3)21-5-8-37-9-6-21)19-10-20(28)13-23(11-19)38-15-22(36)14-29-2/h4,7-8,10-11,15-17,22,30,35H,5-6,9,12-14,18-19H2,1-3H3,(H,31,32,33);4-6,9,12-14,16,21-22,30,36H,7-8,10-11,15,17H2,1-3H3;3,6-7,9-10,14-16,21,31,37H,4-5,8,11-13,17-18H2,1-2H3,(H,32,34,35);4,7,10-13,16,21-22,29,36H,5-6,8-9,14-15H2,1-3H3
• InChIKey: LGDKMRZOGGTTAO-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 437.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.38
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?

The IUPAC name of 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 159341057) is 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is CNCC(O)COc1cc(Cl)cc(-c2nc(-c3ccn4cnnc4c3)c(C)c(N(C)C3CCOCC3)n2)c1.CNCC(O)COc1cc(Cl)cc(-c2nc(-c3cn4ccccc4n3)c(C)c(N(C)C3CCOCC3)n2)c1.CNCC(O)COc1cccc(-c2nc(NCCCN3CCCC3=O)cc(-c3ccc(C(C)(F)F)nc3)n2)c1.CNCC(O)COc1cccc(-c2nc(NCCCN3CCCC3=O)cc(-c3ccc(OC)c(OC)c3)n2)c1.

What is the InChIKey of 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?

The InChIKey is LGDKMRZOGGTTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O5.C28H33ClN6O3.C28H34F2N6O3.C27H32ClN7O3/c1-30-18-22(35)19-39-23-8-4-7-21(15-23)29-32-24(20-10-11-25(37-2)26(16-20)38-3)17-27(33-29)31-12-6-14-34-13-5-9-28(34)36;1-18-26(24-16-35-9-5-4-6-25(35)31-24)32-27(33-28(18)34(3)21-7-10-37-11-8-21)19-12-20(29)14-23(13-19)38-17-22(36)15-30-2;1-28(29,30)24-10-9-20(16-33-24)23-15-25(32-11-5-13-36-12-4-8-26(36)38)35-27(34-23)19-6-3-7-22(14-19)39-18-21(37)17-31-2;1-17-25(18-4-7-35-16-30-33-24(35)12-18)31-26(32-27(17)34(3)21-5-8-37-9-6-21)19-10-20(28)13-23(11-19)38-15-22(36)14-29-2/h4,7-8,10-11,15-17,22,30,35H,5-6,9,12-14,18-19H2,1-3H3,(H,31,32,33);4-6,9,12-14,16,21-22,30,36H,7-8,10-11,15,17H2,1-3H3;3,6-7,9-10,14-16,21,31,37H,4-5,8,11-13,17-18H2,1-2H3,(H,32,34,35);4,7,10-13,16,21-22,29,36H,5-6,8-9,14-15H2,1-3H3.

What are the key properties of 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?

1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 2151.38 g/mol, XLogP of 14.30, 45 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 159341057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).