N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen

C70H93F5N18O9 — CID 159643679

About N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen

N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (PubChem CID 159643679) has the molecular formula C70H93F5N18O9 and a molecular weight of 1425.62 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
• PubChem CID: 159643679
• Molecular Formula: C70H93F5N18O9
• Molecular Weight: 1425.62 g/mol
• Exact Mass: 1424.73
• IUPAC Name: N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
• SMILES: CCCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)nc2cc(OC)c(OC)cc12.COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCC(F)F)c2cc1OC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H28N6O3.C23H23F3N6O3.C23H24F2N6O3.9H2/c1-6-9-26-23(31)24(2,3)30-22-15-11-18(32-4)19(33-5)12-17(15)28-21(29-22)16-13-27-20-14(16)8-7-10-25-20;1-22(2,21(33)29-11-23(24,25)26)32-20-13-8-16(34-3)17(35-4)9-15(13)30-19(31-20)14-10-28-18-12(14)6-5-7-27-18;1-23(2,22(32)28-11-18(24)25)31-21-13-8-16(33-3)17(34-4)9-15(13)29-20(30-21)14-10-27-19-12(14)6-5-7-26-19;;;;;;;;;/h7-8,10-13H,6,9H2,1-5H3,(H,25,27)(H,26,31)(H,28,29,30);5-10H,11H2,1-4H3,(H,27,28)(H,29,33)(H,30,31,32);5-10,18H,11H2,1-4H3,(H,26,27)(H,28,32)(H,29,30,31);9*1H
• InChIKey: MQRJZAIYVMDQAP-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 342.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1425.62
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

The IUPAC name of N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (CID 159643679) is N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.

What is the SMILES notation for N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

The canonical SMILES for N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is CCCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)nc2cc(OC)c(OC)cc12.COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.COc1cc2nc(-c3c[nH]c4ncccc34)nc(NC(C)(C)C(=O)NCC(F)F)c2cc1OC.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

The InChIKey is MQRJZAIYVMDQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3.C23H23F3N6O3.C23H24F2N6O3.9H2/c1-6-9-26-23(31)24(2,3)30-22-15-11-18(32-4)19(33-5)12-17(15)28-21(29-22)16-13-27-20-14(16)8-7-10-25-20;1-22(2,21(33)29-11-23(24,25)26)32-20-13-8-16(34-3)17(35-4)9-15(13)30-19(31-20)14-10-28-18-12(14)6-5-7-27-18;1-23(2,22(32)28-11-18(24)25)31-21-13-8-16(33-3)17(34-4)9-15(13)29-20(30-21)14-10-27-19-12(14)6-5-7-26-19;;;;;;;;;/h7-8,10-13H,6,9H2,1-5H3,(H,25,27)(H,26,31)(H,28,29,30);5-10H,11H2,1-4H3,(H,27,28)(H,29,33)(H,30,31,32);5-10,18H,11H2,1-4H3,(H,26,27)(H,28,32)(H,29,30,31);9*1H.

What are the key properties of N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?

N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen has a molecular weight of 1425.62 g/mol, XLogP of 13.94, 23 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is sourced from PubChem (CID 159643679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).