acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide

C33H46FN5O2 — CID 142307185

About acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide

acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide (PubChem CID 142307185) has the molecular formula C33H46FN5O2 and a molecular weight of 563.76 g/mol. Its IUPAC name is acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
• PubChem CID: 142307185
• Molecular Formula: C33H46FN5O2
• Molecular Weight: 563.76 g/mol
• Exact Mass: 563.36
• IUPAC Name: acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide
• SMILES: CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(CCC3CCCCC3)CC2)c2ccncc21.CC(N)=O
• InChI: InChI=1S/C31H41FN4O.C2H5NO/c1-22(2)34(3)31(37)27-19-25(32)9-10-29(27)36-21-28(26-11-15-33-20-30(26)36)24-13-17-35(18-14-24)16-12-23-7-5-4-6-8-23;1-2(3)4/h9-11,15,19-24H,4-8,12-14,16-18H2,1-3H3;1H3,(H2,3,4)
• InChIKey: CIEZTXYKVNKZHB-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 84.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.76
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?

The IUPAC name of acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide (CID 142307185) is acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide.

What is the SMILES notation for acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?

The canonical SMILES for acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(CCC3CCCCC3)CC2)c2ccncc21.CC(N)=O.

What is the InChIKey of acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?

The InChIKey is CIEZTXYKVNKZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41FN4O.C2H5NO/c1-22(2)34(3)31(37)27-19-25(32)9-10-29(27)36-21-28(26-11-15-33-20-30(26)36)24-13-17-35(18-14-24)16-12-23-7-5-4-6-8-23;1-2(3)4/h9-11,15,19-24H,4-8,12-14,16-18H2,1-3H3;1H3,(H2,3,4).

What are the key properties of acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide?

acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 563.76 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for acetamide;2-[3-[1-(2-cyclohexylethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 142307185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).