N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide

C79H112F3N15O8 — CID 158536241

About N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide

N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide (PubChem CID 158536241) has the molecular formula C79H112F3N15O8 and a molecular weight of 1456.86 g/mol. Its IUPAC name is N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide
• PubChem CID: 158536241
• Molecular Formula: C79H112F3N15O8
• Molecular Weight: 1456.86 g/mol
• Exact Mass: 1455.88
• IUPAC Name: N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide
• SMILES: CCC(C)Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3nnc(C)o3)CC1)CC2.Cc1cnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cn1ncc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)n1
• InChI: InChI=1S/C27H37FN4O3.C26H37FN6O2.C26H38FN5O3/c1-19-18-29-26(34-19)17-24(33)30-21-7-11-27(28,12-8-21)13-16-32-14-9-20-5-6-25(31-23(20)10-15-32)35-22-3-2-4-22;1-32-28-18-21(31-32)17-24(34)29-20-7-11-26(27,12-8-20)13-16-33-14-9-19-5-6-25(30-23(19)10-15-33)35-22-3-2-4-22;1-4-18(2)34-24-6-5-20-9-14-32(15-10-22(20)29-24)16-13-26(27)11-7-21(8-12-26)28-23(33)17-25-31-30-19(3)35-25/h5-6,18,21-22H,2-4,7-17H2,1H3,(H,30,33);5-6,18,20,22H,2-4,7-17H2,1H3,(H,29,34);5-6,18,21H,4,7-17H2,1-3H3,(H,28,33)
• InChIKey: HNZATHJGUBFIFS-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 259.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1456.86
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide?

The IUPAC name of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide (CID 158536241) is N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide.

What is the SMILES notation for N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide?

The canonical SMILES for N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide is CCC(C)Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3nnc(C)o3)CC1)CC2.Cc1cnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)o1.Cn1ncc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC5CCC5)nc4CC3)CC2)n1.

What is the InChIKey of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide?

The InChIKey is HNZATHJGUBFIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN4O3.C26H37FN6O2.C26H38FN5O3/c1-19-18-29-26(34-19)17-24(33)30-21-7-11-27(28,12-8-21)13-16-32-14-9-20-5-6-25(31-23(20)10-15-32)35-22-3-2-4-22;1-32-28-18-21(31-32)17-24(34)29-20-7-11-26(27,12-8-20)13-16-33-14-9-19-5-6-25(30-23(19)10-15-33)35-22-3-2-4-22;1-4-18(2)34-24-6-5-20-9-14-32(15-10-22(20)29-24)16-13-26(27)11-7-21(8-12-26)28-23(33)17-25-31-30-19(3)35-25/h5-6,18,21-22H,2-4,7-17H2,1H3,(H,30,33);5-6,18,20,22H,2-4,7-17H2,1H3,(H,29,34);5-6,18,21H,4,7-17H2,1-3H3,(H,28,33).

What are the key properties of N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide?

N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide has a molecular weight of 1456.86 g/mol, XLogP of 10.80, 25 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-butan-2-yloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-[2-(2-cyclobutyloxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]-4-fluorocyclohexyl]-2-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 158536241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).