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

C18H18N8O — CID 71555616

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

1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555616) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 71555616
• Molecular Formula: C18H18N8O
• Molecular Weight: 362.40 g/mol
• Exact Mass: 362.16
• IUPAC Name: 1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cncn4C)ncc23)ccn1
• InChI: InChI=1S/C18H18N8O/c1-11-5-12(3-4-20-11)17-14-9-21-16(6-15(14)24-25-17)23-18(27)22-8-13-7-19-10-26(13)2/h3-7,9-10H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: ZNDMGDAQKDIIBW-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.40
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555616) is 1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

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

The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cncn4C)ncc23)ccn1.

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

The InChIKey is ZNDMGDAQKDIIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-11-5-12(3-4-20-11)17-14-9-21-16(6-15(14)24-25-17)23-18(27)22-8-13-7-19-10-26(13)2/h3-7,9-10H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27).

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

1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 362.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).