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

C19H22N6O2 — CID 123521622

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

1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea (PubChem CID 123521622) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea.

Molecular Properties

• Compound Name: 1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea
• PubChem CID: 123521622
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: 1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea
• SMILES: COCC(NC(=O)Nc1cc2[nH]nc(N3CCC3)c2cn1)c1ccccc1
• InChI: InChI=1S/C19H22N6O2/c1-27-12-16(13-6-3-2-4-7-13)21-19(26)22-17-10-15-14(11-20-17)18(24-23-15)25-8-5-9-25/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: NNNYFDCXWYRGEZ-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea (CID 123521622) is 1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea.

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

The canonical SMILES for 1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea is COCC(NC(=O)Nc1cc2[nH]nc(N3CCC3)c2cn1)c1ccccc1.

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

The InChIKey is NNNYFDCXWYRGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-12-16(13-6-3-2-4-7-13)21-19(26)22-17-10-15-14(11-20-17)18(24-23-15)25-8-5-9-25/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3,(H,23,24)(H2,20,21,22,26).

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

1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea has a molecular weight of 366.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(azetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxy-1-phenylethyl)urea is sourced from PubChem (CID 123521622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).