1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide

C26H33FN4O2S — CID 166666458

About 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide

1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide (PubChem CID 166666458) has the molecular formula C26H33FN4O2S and a molecular weight of 484.64 g/mol. Its IUPAC name is 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
• PubChem CID: 166666458
• Molecular Formula: C26H33FN4O2S
• Molecular Weight: 484.64 g/mol
• Exact Mass: 484.23
• IUPAC Name: 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
• SMILES: CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)[C@H]2CCN(C)C[C@@H]2F)c2ccccc12
• InChI: InChI=1S/C26H33FN4O2S/c1-15-12-23(34-5)20(25(32)29-15)13-28-26(33)24-17(3)31(22-9-7-6-8-19(22)24)16(2)18-10-11-30(4)14-21(18)27/h6-9,12,16,18,21H,10-11,13-14H2,1-5H3,(H,28,33)(H,29,32)/t16?,18-,21+/m1/s1
• InChIKey: AMLOWNITYIFEOC-OHIWNTBFSA-N
• XLogP: 4.45
• TPSA: 70.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.64
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?

The IUPAC name of 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide (CID 166666458) is 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide.

What is the SMILES notation for 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?

The canonical SMILES for 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide is CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)[C@H]2CCN(C)C[C@@H]2F)c2ccccc12.

What is the InChIKey of 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?

The InChIKey is AMLOWNITYIFEOC-OHIWNTBFSA-N. The full InChI is InChI=1S/C26H33FN4O2S/c1-15-12-23(34-5)20(25(32)29-15)13-28-26(33)24-17(3)31(22-9-7-6-8-19(22)24)16(2)18-10-11-30(4)14-21(18)27/h6-9,12,16,18,21H,10-11,13-14H2,1-5H3,(H,28,33)(H,29,32)/t16?,18-,21+/m1/s1.

What are the key properties of 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide?

1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide has a molecular weight of 484.64 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 166666458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).