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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

C58H76F7N19O6 — CID 157377901

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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 157377901) has the molecular formula C58H76F7N19O6 and a molecular weight of 1268.36 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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
• PubChem CID: 157377901
• Molecular Formula: C58H76F7N19O6
• Molecular Weight: 1268.36 g/mol
• Exact Mass: 1267.61
• 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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
• 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(NCC(F)(F)F)C1(Nc2ccnc(-c3c[nH]c4ncccc34)n2)CCOCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H25FN6O3.C19H19F3N6O2.C16H16F3N7O.8H2/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;20-19(21,22)11-26-17(29)18(4-8-30-9-5-18)28-14-3-7-24-16(27-14)13-10-25-15-12(13)2-1-6-23-15;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);1-3,6-7,10H,4-5,8-9,11H2,(H,23,25)(H,26,29)(H,24,27,28);3-6,8H,7H2,1-2H3,(H,20,21)(H,22,27)(H,23,24,25,26);8*1H
• InChIKey: BKNIOLTYIKQOAV-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 327.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1268.36
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	9
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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?

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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 157377901) 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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?

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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide 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(NCC(F)(F)F)C1(Nc2ccnc(-c3c[nH]c4ncccc34)n2)CCOCC1.[H][H].[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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?

The InChIKey is BKNIOLTYIKQOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3.C19H19F3N6O2.C16H16F3N7O.8H2/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;20-19(21,22)11-26-17(29)18(4-8-30-9-5-18)28-14-3-7-24-16(27-14)13-10-25-15-12(13)2-1-6-23-15;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);1-3,6-7,10H,4-5,8-9,11H2,(H,23,25)(H,26,29)(H,24,27,28);3-6,8H,7H2,1-2H3,(H,20,21)(H,22,27)(H,23,24,25,26);8*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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?

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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 1268.36 g/mol, XLogP of 10.38, 18 rotatable bonds, 9 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-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 157377901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).