1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C23H26N8O2 — CID 123688873

About 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 123688873) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

• Compound Name: 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• PubChem CID: 123688873
• Molecular Formula: C23H26N8O2
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.22
• IUPAC Name: 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
• SMILES: COCCN(C)c1ncc(-c2n[nH]c3cc(NC(=O)NC(C)c4ccccc4)ncc23)cn1
• InChI: InChI=1S/C23H26N8O2/c1-15(16-7-5-4-6-8-16)27-23(32)28-20-11-19-18(14-24-20)21(30-29-19)17-12-25-22(26-13-17)31(2)9-10-33-3/h4-8,11-15H,9-10H2,1-3H3,(H,29,30)(H2,24,27,28,32)
• InChIKey: RNVBDCFVECUZBU-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The IUPAC name of 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 123688873) is 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

What is the SMILES notation for 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The canonical SMILES for 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is COCCN(C)c1ncc(-c2n[nH]c3cc(NC(=O)NC(C)c4ccccc4)ncc23)cn1.

What is the InChIKey of 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

The InChIKey is RNVBDCFVECUZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-15(16-7-5-4-6-8-16)27-23(32)28-20-11-19-18(14-24-20)21(30-29-19)17-12-25-22(26-13-17)31(2)9-10-33-3/h4-8,11-15H,9-10H2,1-3H3,(H,29,30)(H2,24,27,28,32).

What are the key properties of 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?

1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 446.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 123688873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).