N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C125H145F16N15O19 — CID 158267108

About N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 158267108) has the molecular formula C125H145F16N15O19 and a molecular weight of 2465.59 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• PubChem CID: 158267108
• Molecular Formula: C125H145F16N15O19
• Molecular Weight: 2465.59 g/mol
• Exact Mass: 2464.06
• IUPAC Name: N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• SMILES: CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(CO)(c2cnccn2)CC1.CCOC(=O)C1(c2ccnnc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3cnccn3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3cccnn3)CC2)cc1)C(F)(F)F.NC(=O)OCC1(c2ccc(F)cc2)CCC(N(C(=O)c2ccc([C@](O)(CO)C(F)(F)F)cc2)C2CC2)CC1
• InChI: InChI=1S/C27H30F4N2O5.C26H30F3N3O4.C25H29F3N4O4.C24H28F3N3O3.C23H28F3N3O3/c28-20-7-5-18(6-8-20)25(16-38-24(32)36)13-11-22(12-14-25)33(21-9-10-21)23(35)17-1-3-19(4-2-17)26(37,15-34)27(29,30)31;1-3-36-23(34)25(19-12-15-30-31-16-19)13-10-21(11-14-25)32(20-8-9-20)22(33)17-4-6-18(7-5-17)24(2,35)26(27,28)29;1-23(35,25(26,27)28)17-6-4-16(5-7-17)21(33)32(18-8-9-18)19-10-12-24(13-11-19,15-36-22(29)34)20-3-2-14-30-31-20;1-22(33,24(25,26)27)17-4-2-16(3-5-17)21(32)30(18-6-7-18)19-8-10-23(15-31,11-9-19)20-14-28-12-13-29-20;1-3-29(18-8-10-22(15-30,11-9-18)19-14-27-12-13-28-19)20(31)16-4-6-17(7-5-16)21(2,32)23(24,25)26/h1-8,21-22,34,37H,9-16H2,(H2,32,36);4-7,12,15-16,20-21,35H,3,8-11,13-14H2,1-2H3;2-7,14,18-19,35H,8-13,15H2,1H3,(H2,29,34);2-5,12-14,18-19,31,33H,6-11,15H2,1H3;4-7,12-14,18,30,32H,3,8-11,15H2,1-2H3/t22?,25?,26-;21?,24-,25?;19?,23-,24?;19?,22-,23?;18?,21-,22?/m10000/s1
• InChIKey: GIOWNOKQOBZWDD-IJEYUTSDSA-N
• XLogP: 19.58
• TPSA: 497.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.59
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The IUPAC name of N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 158267108) is N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The canonical SMILES for N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCC(CO)(c2cnccn2)CC1.CCOC(=O)C1(c2ccnnc2)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CO)(c3cnccn3)CC2)cc1)C(F)(F)F.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(COC(N)=O)(c3cccnn3)CC2)cc1)C(F)(F)F.NC(=O)OCC1(c2ccc(F)cc2)CCC(N(C(=O)c2ccc([C@](O)(CO)C(F)(F)F)cc2)C2CC2)CC1.

What is the InChIKey of N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The InChIKey is GIOWNOKQOBZWDD-IJEYUTSDSA-N. The full InChI is InChI=1S/C27H30F4N2O5.C26H30F3N3O4.C25H29F3N4O4.C24H28F3N3O3.C23H28F3N3O3/c28-20-7-5-18(6-8-20)25(16-38-24(32)36)13-11-22(12-14-25)33(21-9-10-21)23(35)17-1-3-19(4-2-17)26(37,15-34)27(29,30)31;1-3-36-23(34)25(19-12-15-30-31-16-19)13-10-21(11-14-25)32(20-8-9-20)22(33)17-4-6-18(7-5-17)24(2,35)26(27,28)29;1-23(35,25(26,27)28)17-6-4-16(5-7-17)21(33)32(18-8-9-18)19-10-12-24(13-11-19,15-36-22(29)34)20-3-2-14-30-31-20;1-22(33,24(25,26)27)17-4-2-16(3-5-17)21(32)30(18-6-7-18)19-8-10-23(15-31,11-9-19)20-14-28-12-13-29-20;1-3-29(18-8-10-22(15-30,11-9-18)19-14-27-12-13-28-19)20(31)16-4-6-17(7-5-16)21(2,32)23(24,25)26/h1-8,21-22,34,37H,9-16H2,(H2,32,36);4-7,12,15-16,20-21,35H,3,8-11,13-14H2,1-2H3;2-7,14,18-19,35H,8-13,15H2,1H3,(H2,29,34);2-5,12-14,18-19,31,33H,6-11,15H2,1H3;4-7,12-14,18,30,32H,3,8-11,15H2,1-2H3/t22?,25?,26-;21?,24-,25?;19?,23-,24?;19?,22-,23?;18?,21-,22?/m10000/s1.

What are the key properties of N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 2465.59 g/mol, XLogP of 19.58, 34 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;ethyl 4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-4-ylcyclohexane-1-carboxylate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 158267108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).