2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one

C59H75F7N18O6 — CID 158084341

About 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one

2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one (PubChem CID 158084341) has the molecular formula C59H75F7N18O6 and a molecular weight of 1265.35 g/mol. Its IUPAC name is 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one.

Molecular Properties

• Compound Name: 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one
• PubChem CID: 158084341
• Molecular Formula: C59H75F7N18O6
• Molecular Weight: 1265.35 g/mol
• Exact Mass: 1264.60
• IUPAC Name: 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one
• SMILES: CC(C)(Nc1ncnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F.COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCCF)c2cc1OC.O=C(CCC(F)(F)F)C1(Nc2ccnc(-c3c[nH]c4ncccc34)n2)CCOCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H25FN6O3.C20H20F3N5O2.C16H16F3N7O.7H2/c1-23(2,22(31)26-9-7-24)30-21-14-10-17(32-3)18(33-4)11-16(14)28-20(29-21)15-12-27-19-13(15)6-5-8-25-19;21-20(22,23)5-3-15(29)19(6-10-30-11-7-19)28-16-4-9-25-18(27-16)14-12-26-17-13(14)2-1-8-24-17;1-15(2,13(27)22-7-16(17,18)19)26-14-24-8-23-12(25-14)10-6-21-11-9(10)4-3-5-20-11;;;;;;;/h5-6,8,10-12H,7,9H2,1-4H3,(H,25,27)(H,26,31)(H,28,29,30);1-2,4,8-9,12H,3,5-7,10-11H2,(H,24,26)(H,25,27,28);3-6,8H,7H2,1-2H3,(H,20,21)(H,22,27)(H,23,24,25,26);7*1H
• InChIKey: FNIGASSGNSEPDK-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 315.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.35
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one?

The IUPAC name of 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one (CID 158084341) is 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one.

What is the SMILES notation for 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one?

The canonical SMILES for 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one is CC(C)(Nc1ncnc(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F.COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCCF)c2cc1OC.O=C(CCC(F)(F)F)C1(Nc2ccnc(-c3c[nH]c4ncccc34)n2)CCOCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one?

The InChIKey is FNIGASSGNSEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3.C20H20F3N5O2.C16H16F3N7O.7H2/c1-23(2,22(31)26-9-7-24)30-21-14-10-17(32-3)18(33-4)11-16(14)28-20(29-21)15-12-27-19-13(15)6-5-8-25-19;21-20(22,23)5-3-15(29)19(6-10-30-11-7-19)28-16-4-9-25-18(27-16)14-12-26-17-13(14)2-1-8-24-17;1-15(2,13(27)22-7-16(17,18)19)26-14-24-8-23-12(25-14)10-6-21-11-9(10)4-3-5-20-11;;;;;;;/h5-6,8,10-12H,7,9H2,1-4H3,(H,25,27)(H,26,31)(H,28,29,30);1-2,4,8-9,12H,3,5-7,10-11H2,(H,24,26)(H,25,27,28);3-6,8H,7H2,1-2H3,(H,20,21)(H,22,27)(H,23,24,25,26);7*1H.

What are the key properties of 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one?

2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one has a molecular weight of 1265.35 g/mol, XLogP of 11.36, 19 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;2-methyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;4,4,4-trifluoro-1-[4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]oxan-4-yl]butan-1-one is sourced from PubChem (CID 158084341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).