3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

C27H33F2N3O3 — CID 148848449

About 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one

3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (PubChem CID 148848449) has the molecular formula C27H33F2N3O3 and a molecular weight of 485.58 g/mol. Its IUPAC name is 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
• PubChem CID: 148848449
• Molecular Formula: C27H33F2N3O3
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.25
• IUPAC Name: 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one
• SMILES: COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2(F)F)c2ccccc12
• InChI: InChI=1S/C27H33F2N3O3/c1-16-14-24(35-5)20(26(34)30-16)10-11-23(33)25-18(3)32(22-9-7-6-8-19(22)25)17(2)21-12-13-31(4)15-27(21,28)29/h6-9,14,17,21H,10-13,15H2,1-5H3,(H,30,34)/t17-,21?/m1/s1
• InChIKey: OWYAPFSTBICLKY-OQHSHRKDSA-N
• XLogP: 4.92
• TPSA: 67.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

The IUPAC name of 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one (CID 148848449) is 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

The canonical SMILES for 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2(F)F)c2ccccc12.

What is the InChIKey of 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

The InChIKey is OWYAPFSTBICLKY-OQHSHRKDSA-N. The full InChI is InChI=1S/C27H33F2N3O3/c1-16-14-24(35-5)20(26(34)30-16)10-11-23(33)25-18(3)32(22-9-7-6-8-19(22)25)17(2)21-12-13-31(4)15-27(21,28)29/h6-9,14,17,21H,10-13,15H2,1-5H3,(H,30,34)/t17-,21?/m1/s1.

What are the key properties of 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one?

3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one has a molecular weight of 485.58 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[(1R)-1-(3,3-difluoro-1-methylpiperidin-4-yl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 148848449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).