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

C21H23N7O2 — CID 118365302

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

1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 118365302) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

• Compound Name: 1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
• PubChem CID: 118365302
• Molecular Formula: C21H23N7O2
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.19
• IUPAC Name: 1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
• SMILES: Cc1nccn1CCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
• InChI: InChI=1S/C21H23N7O2/c1-14(16-6-4-3-5-7-16)24-21(29)25-19-12-18-17(13-23-19)20(27-26-18)30-11-10-28-9-8-22-15(28)2/h3-9,12-14H,10-11H2,1-2H3,(H,26,27)(H2,23,24,25,29)/t14-/m1/s1
• InChIKey: DEFISWRNZAQDBL-CQSZACIVSA-N
• XLogP: 3.42
• TPSA: 109.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 118365302) is 1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

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

The canonical SMILES for 1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is Cc1nccn1CCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.

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

The InChIKey is DEFISWRNZAQDBL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-14(16-6-4-3-5-7-16)24-21(29)25-19-12-18-17(13-23-19)20(27-26-18)30-11-10-28-9-8-22-15(28)2/h3-9,12-14H,10-11H2,1-2H3,(H,26,27)(H2,23,24,25,29)/t14-/m1/s1.

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

1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 405.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(2-methylimidazol-1-yl)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118365302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).