1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C20H20N6O3 — CID 123603338

About 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 123603338) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 123603338
• Molecular Formula: C20H20N6O3
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.16
• IUPAC Name: 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: COCC(NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccccc1
• InChI: InChI=1S/C20H20N6O3/c1-12-8-16(26-29-12)19-14-10-21-18(9-15(14)24-25-19)23-20(27)22-17(11-28-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: JTMRYYUQRGTBAI-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 117.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The IUPAC name of 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 123603338) is 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

What is the SMILES notation for 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The canonical SMILES for 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COCC(NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccccc1.

What is the InChIKey of 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

The InChIKey is JTMRYYUQRGTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-12-8-16(26-29-12)19-14-10-21-18(9-15(14)24-25-19)23-20(27)22-17(11-28-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,24,25)(H2,21,22,23,27).

What are the key properties of 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?

1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 392.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-1-phenylethyl)-3-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 123603338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).