N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C122H142F15N17O15 — CID 157087507

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

N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 157087507) has the molecular formula C122H142F15N17O15 and a molecular weight of 2371.55 g/mol. Its IUPAC name is N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• PubChem CID: 157087507
• Molecular Formula: C122H142F15N17O15
• Molecular Weight: 2371.55 g/mol
• Exact Mass: 2370.06
• IUPAC Name: N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCC#N)(c3cnccn3)CC2)cc1)C(F)(F)F.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(CO)(c3ncccn3)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
• InChI: InChI=1S/C26H29F3N4O2.C25H29F3N4O4.2C24H28F3N3O3.C23H28F3N3O3/c1-24(35,26(27,28)29)19-5-3-18(4-6-19)23(34)33(20-7-8-20)21-9-12-25(13-10-21,11-2-14-30)22-17-31-15-16-32-22;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)17-5-3-16(4-6-17)20(32)30(18-7-8-18)19-9-11-23(15-31,12-10-19)21-28-13-2-14-29-21;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/h3-6,15-17,20-21,35H,2,7-13H2,1H3;2-7,14,18-19,35H,8-13,15H2,1H3,(H2,29,34);2-6,13-14,18-19,31,33H,7-12,15H2,1H3;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/t21?,24-,25?;19?,23-,24?;2*19?,22-,23?;18?,21-,22?/m00000/s1
• InChIKey: AEGNEDQZOKBYSQ-BYCGTWNJSA-N
• XLogP: 19.89
• TPSA: 468.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.55
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 157087507) is N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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.C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(CCC#N)(c3cnccn3)CC2)cc1)C(F)(F)F.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(CO)(c3ncccn3)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.

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

The InChIKey is AEGNEDQZOKBYSQ-BYCGTWNJSA-N. The full InChI is InChI=1S/C26H29F3N4O2.C25H29F3N4O4.2C24H28F3N3O3.C23H28F3N3O3/c1-24(35,26(27,28)29)19-5-3-18(4-6-19)23(34)33(20-7-8-20)21-9-12-25(13-10-21,11-2-14-30)22-17-31-15-16-32-22;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)17-5-3-16(4-6-17)20(32)30(18-7-8-18)19-9-11-23(15-31,12-10-19)21-28-13-2-14-29-21;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/h3-6,15-17,20-21,35H,2,7-13H2,1H3;2-7,14,18-19,35H,8-13,15H2,1H3,(H2,29,34);2-6,13-14,18-19,31,33H,7-12,15H2,1H3;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/t21?,24-,25?;19?,23-,24?;2*19?,22-,23?;18?,21-,22?/m00000/s1.

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

N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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 2371.55 g/mol, XLogP of 19.89, 32 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-cyanoethyl)-4-pyrazin-2-ylcyclohexyl]-N-cyclopropyl-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;N-cyclopropyl-N-[4-(hydroxymethyl)-4-pyrimidin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-pyridazin-3-ylcyclohexyl]methyl carbamate;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 157087507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).