7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

C25H33FN6O — CID 122527985

About 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 122527985) has the molecular formula C25H33FN6O and a molecular weight of 452.58 g/mol. Its IUPAC name is 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

• Compound Name: 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
• PubChem CID: 122527985
• Molecular Formula: C25H33FN6O
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.27
• IUPAC Name: 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
• SMILES: CCCN(CCOC)c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1F
• InChI: InChI=1S/C25H33FN6O/c1-3-11-32(12-13-33-2)23-7-6-19(14-20(23)26)21-15-22-24(29-10-9-28-22)25(31-21)30-17-18-5-4-8-27-16-18/h6-7,9-10,14-15,18,27H,3-5,8,11-13,16-17H2,1-2H3,(H,30,31)
• InChIKey: HLGVAFAHRUFBEF-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 75.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

The IUPAC name of 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 122527985) is 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

What is the SMILES notation for 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

The canonical SMILES for 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is CCCN(CCOC)c1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1F.

What is the InChIKey of 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

The InChIKey is HLGVAFAHRUFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O/c1-3-11-32(12-13-33-2)23-7-6-19(14-20(23)26)21-15-22-24(29-10-9-28-22)25(31-21)30-17-18-5-4-8-27-16-18/h6-7,9-10,14-15,18,27H,3-5,8,11-13,16-17H2,1-2H3,(H,30,31).

What are the key properties of 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?

7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 452.58 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 122527985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).