1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea

C24H26N6O4 — CID 146376062

About 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea

1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 146376062) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

• Compound Name: 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
• PubChem CID: 146376062
• Molecular Formula: C24H26N6O4
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.20
• IUPAC Name: 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
• SMILES: COc1cc(-c2cncc(NC(=O)Nc3ccc(C)nc3)n2)ccc1OCC1CC(=O)N(C)C1
• InChI: InChI=1S/C24H26N6O4/c1-15-4-6-18(10-26-15)27-24(32)29-22-12-25-11-19(28-22)17-5-7-20(21(9-17)33-3)34-14-16-8-23(31)30(2)13-16/h4-7,9-12,16H,8,13-14H2,1-3H3,(H2,27,28,29,32)
• InChIKey: UKZJBWJLMUAVGY-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 118.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?

The IUPAC name of 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (CID 146376062) is 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.

What is the SMILES notation for 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?

The canonical SMILES for 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is COc1cc(-c2cncc(NC(=O)Nc3ccc(C)nc3)n2)ccc1OCC1CC(=O)N(C)C1.

What is the InChIKey of 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?

The InChIKey is UKZJBWJLMUAVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15-4-6-18(10-26-15)27-24(32)29-22-12-25-11-19(28-22)17-5-7-20(21(9-17)33-3)34-14-16-8-23(31)30(2)13-16/h4-7,9-12,16H,8,13-14H2,1-3H3,(H2,27,28,29,32).

What are the key properties of 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?

1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 462.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 146376062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).