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

C22H23N7O2 — CID 171388926

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

4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171388926) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

• Compound Name: 4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
• PubChem CID: 171388926
• Molecular Formula: C22H23N7O2
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.19
• IUPAC Name: 4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
• SMILES: COc1ccc(N2CCN(c3nc(-c4cccnc4)nc4c3CCNC4=O)CC2)cn1
• InChI: InChI=1S/C22H23N7O2/c1-31-18-5-4-16(14-25-18)28-9-11-29(12-10-28)21-17-6-8-24-22(30)19(17)26-20(27-21)15-3-2-7-23-13-15/h2-5,7,13-14H,6,8-12H2,1H3,(H,24,30)
• InChIKey: WFQZSQFRHQESER-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 96.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171388926) is 4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

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

The canonical SMILES for 4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is COc1ccc(N2CCN(c3nc(-c4cccnc4)nc4c3CCNC4=O)CC2)cn1.

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

The InChIKey is WFQZSQFRHQESER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-31-18-5-4-16(14-25-18)28-9-11-29(12-10-28)21-17-6-8-24-22(30)19(17)26-20(27-21)15-3-2-7-23-13-15/h2-5,7,13-14H,6,8-12H2,1H3,(H,24,30).

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

4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 417.47 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171388926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).