(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one

C32H27F2NO3 — CID 157220268

About (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 157220268) has the molecular formula C32H27F2NO3 and a molecular weight of 511.57 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

• Compound Name: (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one
• PubChem CID: 157220268
• Molecular Formula: C32H27F2NO3
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.20
• IUPAC Name: (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one
• SMILES: COc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
• InChI: InChI=1S/C32H27F2NO3/c1-38-29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23/h2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3/t24-/m1/s1
• InChIKey: YJAFVTOPXNIOLP-XMMPIXPASA-N
• XLogP: 7.06
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one?

The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one (CID 157220268) is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one.

What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one?

The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one is COc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.

What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one?

The InChIKey is YJAFVTOPXNIOLP-XMMPIXPASA-N. The full InChI is InChI=1S/C32H27F2NO3/c1-38-29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23/h2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3/t24-/m1/s1.

What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one?

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 511.57 g/mol, XLogP of 7.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 157220268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).