7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C25H23ClF3N7O — CID 22030263

About 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 22030263) has the molecular formula C25H23ClF3N7O and a molecular weight of 529.95 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 22030263
• Molecular Formula: C25H23ClF3N7O
• Molecular Weight: 529.95 g/mol
• Exact Mass: 529.16
• IUPAC Name: 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
• SMILES: CC1CN(Cc2nc(Nc3ccc(C(F)(F)F)nc3)c3ncc(-c4ncccc4Cl)cc3n2)CC(C)O1
• InChI: InChI=1S/C25H23ClF3N7O/c1-14-11-36(12-15(2)37-14)13-21-34-19-8-16(22-18(26)4-3-7-30-22)9-32-23(19)24(35-21)33-17-5-6-20(31-10-17)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,33,34,35)
• InChIKey: GPIOLHJKRXFVMB-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 88.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.95
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 22030263) is 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is CC1CN(Cc2nc(Nc3ccc(C(F)(F)F)nc3)c3ncc(-c4ncccc4Cl)cc3n2)CC(C)O1.

What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is GPIOLHJKRXFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N7O/c1-14-11-36(12-15(2)37-14)13-21-34-19-8-16(22-18(26)4-3-7-30-22)9-32-23(19)24(35-21)33-17-5-6-20(31-10-17)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,33,34,35).

What are the key properties of 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?

7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 529.95 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-chloro-2-pyridinyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 22030263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).