2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine

C27H27F3N6O — CID 11352705

About 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11352705) has the molecular formula C27H27F3N6O and a molecular weight of 508.55 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 11352705
• Molecular Formula: C27H27F3N6O
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.22
• IUPAC Name: 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
• SMILES: COCc1nc(Nc2ccc3c(c2)CN(C)CC3(C)C)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
• InChI: InChI=1S/C27H27F3N6O/c1-26(2)15-36(3)13-16-12-17(7-9-19(16)26)32-24-18-8-10-21(33-25(18)35-22(34-24)14-37-4)23-20(27(28,29)30)6-5-11-31-23/h5-12H,13-15H2,1-4H3,(H,32,33,34,35)
• InChIKey: FOUNQNSFZOTUHB-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 11352705) is 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine is COCc1nc(Nc2ccc3c(c2)CN(C)CC3(C)C)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.

What is the InChIKey of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is FOUNQNSFZOTUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O/c1-26(2)15-36(3)13-16-12-17(7-9-19(16)26)32-24-18-8-10-21(33-25(18)35-22(34-24)14-37-4)23-20(27(28,29)30)6-5-11-31-23/h5-12H,13-15H2,1-4H3,(H,32,33,34,35).

What are the key properties of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine?

2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 508.55 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11352705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).