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

C18H21N5O3 — CID 118365348

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

1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365348) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

• Compound Name: 1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
• PubChem CID: 118365348
• Molecular Formula: C18H21N5O3
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.16
• IUPAC Name: 1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
• SMILES: CCOC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccccc1
• InChI: InChI=1S/C18H21N5O3/c1-3-26-11-15(12-7-5-4-6-8-12)20-18(24)21-16-9-14-13(10-19-16)17(25-2)23-22-14/h4-10,15H,3,11H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t15-/m1/s1
• InChIKey: GSIOKIUJTPHUNR-OAHLLOKOSA-N
• XLogP: 2.87
• TPSA: 101.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.40
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365348) is 1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

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

The canonical SMILES for 1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is CCOC[C@@H](NC(=O)Nc1cc2[nH]nc(OC)c2cn1)c1ccccc1.

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

The InChIKey is GSIOKIUJTPHUNR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-26-11-15(12-7-5-4-6-8-12)20-18(24)21-16-9-14-13(10-19-16)17(25-2)23-22-14/h4-10,15H,3,11H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t15-/m1/s1.

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

1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 355.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).