trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol

C22H24N6O — CID 146153846

About trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol

trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 146153846) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
• PubChem CID: 146153846
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
• SMILES: O[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1NCc1cnc2cnccn12
• InChI: InChI=1S/C22H24N6O/c29-20-11-16(15-27-8-7-24-22(27)17-4-2-1-3-5-17)10-19(20)25-12-18-13-26-21-14-23-6-9-28(18)21/h1-9,13-14,16,19-20,25,29H,10-12,15H2/t16?,19-,20-/m1/s1
• InChIKey: GUDFXIVWWRCDHB-ODFWGIBRSA-N
• XLogP: 2.52
• TPSA: 80.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol (CID 146153846) is trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1NCc1cnc2cnccn12.

What is the InChIKey of trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

The InChIKey is GUDFXIVWWRCDHB-ODFWGIBRSA-N. The full InChI is InChI=1S/C22H24N6O/c29-20-11-16(15-27-8-7-24-22(27)17-4-2-1-3-5-17)10-19(20)25-12-18-13-26-21-14-23-6-9-28(18)21/h1-9,13-14,16,19-20,25,29H,10-12,15H2/t16?,19-,20-/m1/s1.

What are the key properties of trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 388.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 146153846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).