2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide

C24H29N9O — CID 145427351

About 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide

2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 145427351) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide
• PubChem CID: 145427351
• Molecular Formula: C24H29N9O
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.25
• IUPAC Name: 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide
• SMILES: Cc1cc(N2CCN(CC(N)=O)CC2)nc(N2CCc3nc(-c4ncccn4)ncc3C2C)c1
• InChI: InChI=1S/C24H29N9O/c1-16-12-21(32-10-8-31(9-11-32)15-20(25)34)30-22(13-16)33-7-4-19-18(17(33)2)14-28-24(29-19)23-26-5-3-6-27-23/h3,5-6,12-14,17H,4,7-11,15H2,1-2H3,(H2,25,34)
• InChIKey: QCLBFAUKYVGLOZ-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 117.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide?

The IUPAC name of 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 145427351) is 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide.

What is the SMILES notation for 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide?

The canonical SMILES for 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(N)=O)CC2)nc(N2CCc3nc(-c4ncccn4)ncc3C2C)c1.

What is the InChIKey of 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide?

The InChIKey is QCLBFAUKYVGLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O/c1-16-12-21(32-10-8-31(9-11-32)15-20(25)34)30-22(13-16)33-7-4-19-18(17(33)2)14-28-24(29-19)23-26-5-3-6-27-23/h3,5-6,12-14,17H,4,7-11,15H2,1-2H3,(H2,25,34).

What are the key properties of 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide?

2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 459.56 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 145427351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).