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

C15H20N4O4 — CID 162472552

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

(2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 162472552) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• PubChem CID: 162472552
• Molecular Formula: C15H20N4O4
• Molecular Weight: 320.35 g/mol
• Exact Mass: 320.15
• IUPAC Name: (2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• SMILES: OC[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nccc32)[C@@H](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)/t10-,12?,13+,15-/m1/s1
• InChIKey: CPOMDDUCAPSXHM-INHPVMQOSA-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 (2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The IUPAC name of (2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 162472552) is (2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

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

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

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

The InChIKey is CPOMDDUCAPSXHM-INHPVMQOSA-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)/t10-,12?,13+,15-/m1/s1.

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

(2R,3S,5R)-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 (2R,3S,5R)-2-[4-(cyclobutylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 162472552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).