(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol

C28H25FN2O — CID 23648201

About (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol (PubChem CID 23648201) has the molecular formula C28H25FN2O and a molecular weight of 424.52 g/mol. Its IUPAC name is (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol.

Molecular Properties

• Compound Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol
• PubChem CID: 23648201
• Molecular Formula: C28H25FN2O
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.20
• IUPAC Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol
• SMILES: C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccc2ccccc2c1
• InChI: InChI=1S/C28H25FN2O/c1-28-16-21-17-30-31(24-11-9-23(29)10-12-24)26(21)15-22(28)8-13-25(28)27(32)20-7-6-18-4-2-3-5-19(18)14-20/h2-7,9-12,14-15,17,25,27,32H,8,13,16H2,1H3/t25-,27+,28+/m1/s1
• InChIKey: UGESQOSTAUBIRP-PKXQUSJVSA-N
• XLogP: 6.25
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.52
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol?

The IUPAC name of (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol (CID 23648201) is (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol.

What is the SMILES notation for (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol?

The canonical SMILES for (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol is C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1ccc2ccccc2c1.

What is the InChIKey of (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol?

The InChIKey is UGESQOSTAUBIRP-PKXQUSJVSA-N. The full InChI is InChI=1S/C28H25FN2O/c1-28-16-21-17-30-31(24-11-9-23(29)10-12-24)26(21)15-22(28)8-13-25(28)27(32)20-7-6-18-4-2-3-5-19(18)14-20/h2-7,9-12,14-15,17,25,27,32H,8,13,16H2,1H3/t25-,27+,28+/m1/s1.

What are the key properties of (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol?

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol has a molecular weight of 424.52 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-naphthalen-2-ylmethanol is sourced from PubChem (CID 23648201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).