3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol

C23H23N9O — CID 59341954

About 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol

3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol (PubChem CID 59341954) has the molecular formula C23H23N9O and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
• PubChem CID: 59341954
• Molecular Formula: C23H23N9O
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.20
• IUPAC Name: 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
• SMILES: Cc1nccn1CC1(O)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
• InChI: InChI=1S/C23H23N9O/c1-16-24-8-10-30(16)14-23(33)6-9-31(15-23)20-12-26-21-22(27-20)32(29-28-21)13-17-4-5-19-18(11-17)3-2-7-25-19/h2-5,7-8,10-12,33H,6,9,13-15H2,1H3
• InChIKey: ULUUSEYKIDSQMA-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 110.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

The IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol (CID 59341954) is 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol.

What is the SMILES notation for 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

The canonical SMILES for 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol is Cc1nccn1CC1(O)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1.

What is the InChIKey of 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

The InChIKey is ULUUSEYKIDSQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O/c1-16-24-8-10-30(16)14-23(33)6-9-31(15-23)20-12-26-21-22(27-20)32(29-28-21)13-17-4-5-19-18(11-17)3-2-7-25-19/h2-5,7-8,10-12,33H,6,9,13-15H2,1H3.

What are the key properties of 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol?

3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol has a molecular weight of 441.50 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 59341954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).