8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

C22H20FN7 — CID 118162900

About 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine

8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 118162900) has the molecular formula C22H20FN7 and a molecular weight of 401.45 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
• PubChem CID: 118162900
• Molecular Formula: C22H20FN7
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.18
• IUPAC Name: 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
• SMILES: Fc1cccc(-c2nccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1
• InChI: InChI=1S/C22H20FN7/c23-17-3-1-2-15(12-17)20-21-16(6-7-25-20)13-27-22(29-21)28-18-4-5-19(26-14-18)30-10-8-24-9-11-30/h1-7,12-14,24H,8-11H2,(H,27,28,29)
• InChIKey: ZAGVYLAFOOICSH-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 78.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

The IUPAC name of 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine (CID 118162900) is 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine.

What is the SMILES notation for 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

The canonical SMILES for 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is Fc1cccc(-c2nccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)c1.

What is the InChIKey of 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

The InChIKey is ZAGVYLAFOOICSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7/c23-17-3-1-2-15(12-17)20-21-16(6-7-25-20)13-27-22(29-21)28-18-4-5-19(26-14-18)30-10-8-24-9-11-30/h1-7,12-14,24H,8-11H2,(H,27,28,29).

What are the key properties of 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine?

8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 401.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 118162900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).