1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C21H20N6O2 — CID 71555388

About 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555388) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 71555388
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CO)c4ccccc4)ncc23)ccn1
• InChI: InChI=1S/C21H20N6O2/c1-13-9-15(7-8-22-13)20-16-11-23-19(10-17(16)26-27-20)25-21(29)24-18(12-28)14-5-3-2-4-6-14/h2-11,18,28H,12H2,1H3,(H,26,27)(H2,23,24,25,29)/t18-/m0/s1
• InChIKey: VZNCWYDRVUCASS-SFHVURJKSA-N
• XLogP: 3.18
• TPSA: 115.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555388) is 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

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

The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CO)c4ccccc4)ncc23)ccn1.

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

The InChIKey is VZNCWYDRVUCASS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-9-15(7-8-22-13)20-16-11-23-19(10-17(16)26-27-20)25-21(29)24-18(12-28)14-5-3-2-4-6-14/h2-11,18,28H,12H2,1H3,(H,26,27)(H2,23,24,25,29)/t18-/m0/s1.

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

1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 388.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).