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

C30H33F3N6O — CID 11157097

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

2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11157097) has the molecular formula C30H33F3N6O and a molecular weight of 550.63 g/mol. Its IUPAC name is 2-(2-methylpropoxymethyl)-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-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 11157097
• Molecular Formula: C30H33F3N6O
• Molecular Weight: 550.63 g/mol
• Exact Mass: 550.27
• IUPAC Name: 2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)COCc1nc(Nc2ccc3c(c2)CN(C)CC3(C)C)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
• InChI: InChI=1S/C30H33F3N6O/c1-18(2)15-40-16-25-37-27(35-20-8-10-22-19(13-20)14-39(5)17-29(22,3)4)21-9-11-24(36-28(21)38-25)26-23(30(31,32)33)7-6-12-34-26/h6-13,18H,14-17H2,1-5H3,(H,35,36,37,38)
• InChIKey: XSVWHBRBBWRCSN-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.63
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxymethyl)-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-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 11157097) is 2-(2-methylpropoxymethyl)-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-(2-methylpropoxymethyl)-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-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[2,3-d]pyrimidin-4-amine is CC(C)COCc1nc(Nc2ccc3c(c2)CN(C)CC3(C)C)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.

What is the InChIKey of 2-(2-methylpropoxymethyl)-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 XSVWHBRBBWRCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N6O/c1-18(2)15-40-16-25-37-27(35-20-8-10-22-19(13-20)14-39(5)17-29(22,3)4)21-9-11-24(36-28(21)38-25)26-23(30(31,32)33)7-6-12-34-26/h6-13,18H,14-17H2,1-5H3,(H,35,36,37,38).

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

2-(2-methylpropoxymethyl)-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 550.63 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylpropoxymethyl)-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 11157097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).