methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate

C22H22N4O2 — CID 24916635

About methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate

methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate (PubChem CID 24916635) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate.

Molecular Properties

• Compound Name: methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate
• PubChem CID: 24916635
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate
• SMILES: COC(=O)c1cccc(-c2cccc(CN3CCc4nc(C)ncc4C3)n2)c1
• InChI: InChI=1S/C22H22N4O2/c1-15-23-12-18-13-26(10-9-21(18)24-15)14-19-7-4-8-20(25-19)16-5-3-6-17(11-16)22(27)28-2/h3-8,11-12H,9-10,13-14H2,1-2H3
• InChIKey: WMAYCOIPYRWBHK-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 68.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate?

The IUPAC name of methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate (CID 24916635) is methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate.

What is the SMILES notation for methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate?

The canonical SMILES for methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate is COC(=O)c1cccc(-c2cccc(CN3CCc4nc(C)ncc4C3)n2)c1.

What is the InChIKey of methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate?

The InChIKey is WMAYCOIPYRWBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-23-12-18-13-26(10-9-21(18)24-15)14-19-7-4-8-20(25-19)16-5-3-6-17(11-16)22(27)28-2/h3-8,11-12H,9-10,13-14H2,1-2H3.

What are the key properties of methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate?

methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate has a molecular weight of 374.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[6-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate is sourced from PubChem (CID 24916635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).