1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea

C25H26N6O2 — CID 70836165

About 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea

1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea (PubChem CID 70836165) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea.

Molecular Properties

• Compound Name: 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
• PubChem CID: 70836165
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
• SMILES: COc1ncccc1-c1cnc2ccc(NC(=O)NC(C)CCCc3ccccc3)nc2n1
• InChI: InChI=1S/C25H26N6O2/c1-17(8-6-11-18-9-4-3-5-10-18)28-25(32)31-22-14-13-20-23(30-22)29-21(16-27-20)19-12-7-15-26-24(19)33-2/h3-5,7,9-10,12-17H,6,8,11H2,1-2H3,(H2,28,29,30,31,32)
• InChIKey: ZOQQEQQVKRGAQP-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 101.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?

The IUPAC name of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea (CID 70836165) is 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea.

What is the SMILES notation for 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?

The canonical SMILES for 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea is COc1ncccc1-c1cnc2ccc(NC(=O)NC(C)CCCc3ccccc3)nc2n1.

What is the InChIKey of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?

The InChIKey is ZOQQEQQVKRGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17(8-6-11-18-9-4-3-5-10-18)28-25(32)31-22-14-13-20-23(30-22)29-21(16-27-20)19-12-7-15-26-24(19)33-2/h3-5,7,9-10,12-17H,6,8,11H2,1-2H3,(H2,28,29,30,31,32).

What are the key properties of 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea?

1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea has a molecular weight of 442.52 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea is sourced from PubChem (CID 70836165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).