trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol

C23H24N4O2 — CID 167799613

About trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol

trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 167799613) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
• PubChem CID: 167799613
• Molecular Formula: C23H24N4O2
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.19
• IUPAC Name: trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
• SMILES: O[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1NCc1cc2cnccc2o1
• InChI: InChI=1S/C23H24N4O2/c28-21-11-16(15-27-9-8-25-23(27)17-4-2-1-3-5-17)10-20(21)26-14-19-12-18-13-24-7-6-22(18)29-19/h1-9,12-13,16,20-21,26,28H,10-11,14-15H2/t16?,20-,21-/m1/s1
• InChIKey: YIJKDLAIYOLTOO-FPDAJAHMSA-N
• XLogP: 3.62
• TPSA: 76.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol (CID 167799613) is trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol.

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

The canonical SMILES for trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1NCc1cc2cnccc2o1.

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

The InChIKey is YIJKDLAIYOLTOO-FPDAJAHMSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-11-16(15-27-9-8-25-23(27)17-4-2-1-3-5-17)10-20(21)26-14-19-12-18-13-24-7-6-22(18)29-19/h1-9,12-13,16,20-21,26,28H,10-11,14-15H2/t16?,20-,21-/m1/s1.

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

trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 388.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 167799613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).