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

C27H29N5O2 — CID 70854667

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

1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea (PubChem CID 70854667) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea.

Molecular Properties

• Compound Name: 1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
• PubChem CID: 70854667
• Molecular Formula: C27H29N5O2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.23
• IUPAC Name: 1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
• SMILES: COCc1cccc(-c2cnc3ccc(NC(=O)NC(C)CCCc4ccccc4)nc3n2)c1
• InChI: InChI=1S/C27H29N5O2/c1-19(8-6-11-20-9-4-3-5-10-20)29-27(33)32-25-15-14-23-26(31-25)30-24(17-28-23)22-13-7-12-21(16-22)18-34-2/h3-5,7,9-10,12-17,19H,6,8,11,18H2,1-2H3,(H2,29,30,31,32,33)
• InChIKey: DDTQFQJENCBZIJ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea (CID 70854667) is 1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea.

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

The canonical SMILES for 1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea is COCc1cccc(-c2cnc3ccc(NC(=O)NC(C)CCCc4ccccc4)nc3n2)c1.

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

The InChIKey is DDTQFQJENCBZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-19(8-6-11-20-9-4-3-5-10-20)29-27(33)32-25-15-14-23-26(31-25)30-24(17-28-23)22-13-7-12-21(16-22)18-34-2/h3-5,7,9-10,12-17,19H,6,8,11,18H2,1-2H3,(H2,29,30,31,32,33).

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

1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea has a molecular weight of 455.56 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea is sourced from PubChem (CID 70854667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).