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

C24H26N4O2 — CID 24916636

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

methyl 3-[6-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate (PubChem CID 24916636) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is methyl 3-[6-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate.

Molecular Properties

• Compound Name: methyl 3-[6-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate
• PubChem CID: 24916636
• Molecular Formula: C24H26N4O2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.21
• IUPAC Name: methyl 3-[6-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate
• SMILES: COC(=O)c1cccc(-c2cccc(CN3CCc4nc(C(C)C)ncc4C3)n2)c1
• InChI: InChI=1S/C24H26N4O2/c1-16(2)23-25-13-19-14-28(11-10-22(19)27-23)15-20-8-5-9-21(26-20)17-6-4-7-18(12-17)24(29)30-3/h4-9,12-13,16H,10-11,14-15H2,1-3H3
• InChIKey: NQNHVDALLJIDMM-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 68.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl 3-[6-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate (CID 24916636) is methyl 3-[6-[(2-propan-2-yl-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-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate?

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

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

The InChIKey is NQNHVDALLJIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16(2)23-25-13-19-14-28(11-10-22(19)27-23)15-20-8-5-9-21(26-20)17-6-4-7-18(12-17)24(29)30-3/h4-9,12-13,16H,10-11,14-15H2,1-3H3.

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

methyl 3-[6-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate has a molecular weight of 402.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[6-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzoate is sourced from PubChem (CID 24916636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).