cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone

C50H61F6IN6O6 — CID 159153186

About cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone

cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone (PubChem CID 159153186) has the molecular formula C50H61F6IN6O6 and a molecular weight of 1082.97 g/mol. Its IUPAC name is cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone.

Molecular Properties

• Compound Name: cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone
• PubChem CID: 159153186
• Molecular Formula: C50H61F6IN6O6
• Molecular Weight: 1082.97 g/mol
• Exact Mass: 1082.36
• IUPAC Name: cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone
• SMILES: CC1(C)CCC(=O)O1.CC1(C)CN(c2cnn3c2CC(C(=O)Cc2cc(F)c(F)c(F)c2)CC3)C(=O)O1.CC[C@@H]1CCCC[C@H]1NC.O=C(Cc1cc(F)c(F)c(F)c1)C1CCn2ncc(I)c2C1
• InChI: InChI=1S/C20H20F3N3O3.C15H12F3IN2O.C9H19N.C6H10O2/c1-20(2)10-25(19(28)29-20)16-9-24-26-4-3-12(8-15(16)26)17(27)7-11-5-13(21)18(23)14(22)6-11;16-10-3-8(4-11(17)15(10)18)5-14(22)9-1-2-21-13(6-9)12(19)7-20-21;1-3-8-6-4-5-7-9(8)10-2;1-6(2)4-3-5(7)8-6/h5-6,9,12H,3-4,7-8,10H2,1-2H3;3-4,7,9H,1-2,5-6H2;8-10H,3-7H2,1-2H3;3-4H2,1-2H3/t;;8-,9-;/m..1./s1
• InChIKey: KJOHGEOMTIAGPK-HHIBBDFHSA-N
• XLogP: 9.97
• TPSA: 137.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.97
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone?

The IUPAC name of cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone (CID 159153186) is cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone.

What is the SMILES notation for cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone?

The canonical SMILES for cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone is CC1(C)CCC(=O)O1.CC1(C)CN(c2cnn3c2CC(C(=O)Cc2cc(F)c(F)c(F)c2)CC3)C(=O)O1.CC[C@@H]1CCCC[C@H]1NC.O=C(Cc1cc(F)c(F)c(F)c1)C1CCn2ncc(I)c2C1.

What is the InChIKey of cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone?

The InChIKey is KJOHGEOMTIAGPK-HHIBBDFHSA-N. The full InChI is InChI=1S/C20H20F3N3O3.C15H12F3IN2O.C9H19N.C6H10O2/c1-20(2)10-25(19(28)29-20)16-9-24-26-4-3-12(8-15(16)26)17(27)7-11-5-13(21)18(23)14(22)6-11;16-10-3-8(4-11(17)15(10)18)5-14(22)9-1-2-21-13(6-9)12(19)7-20-21;1-3-8-6-4-5-7-9(8)10-2;1-6(2)4-3-5(7)8-6/h5-6,9,12H,3-4,7-8,10H2,1-2H3;3-4,7,9H,1-2,5-6H2;8-10H,3-7H2,1-2H3;3-4H2,1-2H3/t;;8-,9-;/m..1./s1.

What are the key properties of cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone?

cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone has a molecular weight of 1082.97 g/mol, XLogP of 9.97, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;5,5-dimethyloxolan-2-one;5,5-dimethyl-3-[5-[2-(3,4,5-trifluorophenyl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1,3-oxazolidin-2-one;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 159153186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).