1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

C27H29N5O3 — CID 66558871

About 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea

1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (PubChem CID 66558871) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
• PubChem CID: 66558871
• Molecular Formula: C27H29N5O3
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.23
• IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
• SMILES: COc1ccc(-c2cnc3ccc(NC(=O)N[C@H](C)CCCc4ccccc4)nc3n2)cc1OC
• InChI: InChI=1S/C27H29N5O3/c1-18(8-7-11-19-9-5-4-6-10-19)29-27(33)32-25-15-13-21-26(31-25)30-22(17-28-21)20-12-14-23(34-2)24(16-20)35-3/h4-6,9-10,12-18H,7-8,11H2,1-3H3,(H2,29,30,31,32,33)/t18-/m1/s1
• InChIKey: XNNBRBJYJCPIBC-GOSISDBHSA-N
• XLogP: 5.24
• TPSA: 98.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?

The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea (CID 66558871) is 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea.

What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?

The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is COc1ccc(-c2cnc3ccc(NC(=O)N[C@H](C)CCCc4ccccc4)nc3n2)cc1OC.

What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?

The InChIKey is XNNBRBJYJCPIBC-GOSISDBHSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18(8-7-11-19-9-5-4-6-10-19)29-27(33)32-25-15-13-21-26(31-25)30-22(17-28-21)20-12-14-23(34-2)24(16-20)35-3/h4-6,9-10,12-18H,7-8,11H2,1-3H3,(H2,29,30,31,32,33)/t18-/m1/s1.

What are the key properties of 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea?

1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea has a molecular weight of 471.56 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea is sourced from PubChem (CID 66558871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).