2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol

C25H27N3O2 — CID 75301698

About 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol

2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol (PubChem CID 75301698) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol.

Molecular Properties

• Compound Name: 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol
• PubChem CID: 75301698
• Molecular Formula: C25H27N3O2
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.21
• IUPAC Name: 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol
• SMILES: CC12Cc3cnn(-c4ccccc4)c3C=C1CCC2(CO)CC(O)c1cccnc1
• InChI: InChI=1S/C25H27N3O2/c1-24-13-19-16-27-28(21-7-3-2-4-8-21)22(19)12-20(24)9-10-25(24,17-29)14-23(30)18-6-5-11-26-15-18/h2-8,11-12,15-16,23,29-30H,9-10,13-14,17H2,1H3
• InChIKey: XYGBEPPTYDXISI-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 71.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol?

The IUPAC name of 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol (CID 75301698) is 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol.

What is the SMILES notation for 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol?

The canonical SMILES for 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol is CC12Cc3cnn(-c4ccccc4)c3C=C1CCC2(CO)CC(O)c1cccnc1.

What is the InChIKey of 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol?

The InChIKey is XYGBEPPTYDXISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-24-13-19-16-27-28(21-7-3-2-4-8-21)22(19)12-20(24)9-10-25(24,17-29)14-23(30)18-6-5-11-26-15-18/h2-8,11-12,15-16,23,29-30H,9-10,13-14,17H2,1H3.

What are the key properties of 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol?

2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol has a molecular weight of 401.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(hydroxymethyl)-4a-methyl-1-phenyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 75301698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).