1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C20H22N8O2 — CID 123543737

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

1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 123543737) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 123543737
• Molecular Formula: C20H22N8O2
• Molecular Weight: 406.45 g/mol
• Exact Mass: 406.19
• IUPAC Name: 1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: COCC(NC(=O)Nc1cc2[nH]nc(Nc3cnn(C)c3)c2cn1)c1ccccc1
• InChI: InChI=1S/C20H22N8O2/c1-28-11-14(9-22-28)23-19-15-10-21-18(8-16(15)26-27-19)25-20(29)24-17(12-30-2)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H2,23,26,27)(H2,21,24,25,29)
• InChIKey: QVRONKCJTUSWEQ-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 121.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.45
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 123543737) is 1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

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

The canonical SMILES for 1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is COCC(NC(=O)Nc1cc2[nH]nc(Nc3cnn(C)c3)c2cn1)c1ccccc1.

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

The InChIKey is QVRONKCJTUSWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-28-11-14(9-22-28)23-19-15-10-21-18(8-16(15)26-27-19)25-20(29)24-17(12-30-2)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H2,23,26,27)(H2,21,24,25,29).

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

1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 406.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-1-phenylethyl)-3-[3-[(1-methylpyrazol-4-yl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 123543737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).