2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C15H20N4O4 — CID 135258253

About 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 135258253) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• PubChem CID: 135258253
• Molecular Formula: C15H20N4O4
• Molecular Weight: 320.35 g/mol
• Exact Mass: 320.15
• IUPAC Name: 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• SMILES: OCC1OC(n2cnc3c(NC4CCC4)nccc32)C(O)C1O
• InChI: InChI=1S/C15H20N4O4/c20-6-10-12(21)13(22)15(23-10)19-7-17-11-9(19)4-5-16-14(11)18-8-2-1-3-8/h4-5,7-8,10,12-13,15,20-22H,1-3,6H2,(H,16,18)
• InChIKey: CPOMDDUCAPSXHM-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 112.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.35
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The IUPAC name of 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 135258253) is 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

What is the SMILES notation for 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The canonical SMILES for 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol is OCC1OC(n2cnc3c(NC4CCC4)nccc32)C(O)C1O.

What is the InChIKey of 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The InChIKey is CPOMDDUCAPSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-6-10-12(21)13(22)15(23-10)19-7-17-11-9(19)4-5-16-14(11)18-8-2-1-3-8/h4-5,7-8,10,12-13,15,20-22H,1-3,6H2,(H,16,18).

What are the key properties of 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 320.35 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 135258253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).