2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C24H25F3N6O3 — CID 70826760

About 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 70826760) has the molecular formula C24H25F3N6O3 and a molecular weight of 502.50 g/mol. Its IUPAC name is 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

• Compound Name: 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
• PubChem CID: 70826760
• Molecular Formula: C24H25F3N6O3
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.19
• IUPAC Name: 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
• SMILES: COc1cc2nc(-c3c[nH]c4ncc(C)cc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC
• InChI: InChI=1S/C24H25F3N6O3/c1-12-6-13-15(10-29-19(13)28-9-12)20-31-16-8-18(36-5)17(35-4)7-14(16)21(32-20)33-23(2,3)22(34)30-11-24(25,26)27/h6-10H,11H2,1-5H3,(H,28,29)(H,30,34)(H,31,32,33)
• InChIKey: PJLZVMJQFHDXNA-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 114.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?

The IUPAC name of 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 70826760) is 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

What is the SMILES notation for 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?

The canonical SMILES for 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is COc1cc2nc(-c3c[nH]c4ncc(C)cc34)nc(NC(C)(C)C(=O)NCC(F)(F)F)c2cc1OC.

What is the InChIKey of 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?

The InChIKey is PJLZVMJQFHDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3/c1-12-6-13-15(10-29-19(13)28-9-12)20-31-16-8-18(36-5)17(35-4)7-14(16)21(32-20)33-23(2,3)22(34)30-11-24(25,26)27/h6-10H,11H2,1-5H3,(H,28,29)(H,30,34)(H,31,32,33).

What are the key properties of 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?

2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 502.50 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6,7-dimethoxy-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 70826760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).