5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile

C143H122F3N35O14 — CID 160917075

About 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile

5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile (PubChem CID 160917075) has the molecular formula C143H122F3N35O14 and a molecular weight of 2611.77 g/mol. Its IUPAC name is 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
• PubChem CID: 160917075
• Molecular Formula: C143H122F3N35O14
• Molecular Weight: 2611.77 g/mol
• Exact Mass: 2609.99
• IUPAC Name: 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
• SMILES: CN1CCN(c2cc(C(F)(F)F)cnc2-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)CC1.C[C@@H]1CN(c2cc(C#N)cnc2-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)CCO1.C[C@H]1CN(c2cc(C#N)cnc2-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)CCO1.N#Cc1ccc(N2CCOCC2)c(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)n1.N#Cc1cnc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CCOCC2)c1
• InChI: InChI=1S/C29H26F3N7O2.2C29H25N7O3.2C28H23N7O3/c1-38-11-13-39(14-12-38)22-16-20(29(30,31)32)17-33-25(22)27-36-37-28(41-27)35-26-23(40)15-19-9-5-6-10-21(19)24(34-26)18-7-3-2-4-8-18;2*1-18-17-36(11-12-38-18)23-13-19(15-30)16-31-26(23)28-34-35-29(39-28)33-27-24(37)14-21-9-5-6-10-22(21)25(32-27)20-7-3-2-4-8-20;29-16-18-14-22(35-10-12-37-13-11-35)25(30-17-18)27-33-34-28(38-27)32-26-23(36)15-20-8-4-5-9-21(20)24(31-26)19-6-2-1-3-7-19;29-17-20-10-11-22(35-12-14-37-15-13-35)25(30-20)27-33-34-28(38-27)32-26-23(36)16-19-8-4-5-9-21(19)24(31-26)18-6-2-1-3-7-18/h2-10,16-17,26H,11-15H2,1H3,(H,35,37);2*2-10,13,16,18,27H,11-12,14,17H2,1H3,(H,33,35);1-9,14,17,26H,10-13,15H2,(H,32,34);1-11,26H,12-16H2,(H,32,34)/t26-;18-,27+;18-,27-;2*26-/m10111/s1
• InChIKey: SRNUBTKXCCXXRD-FZVMMIRFSA-N
• XLogP: 18.04
• TPSA: 617.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 49
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2611.77
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?

The IUPAC name of 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile (CID 160917075) is 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?

The canonical SMILES for 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile is CN1CCN(c2cc(C(F)(F)F)cnc2-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)CC1.C[C@@H]1CN(c2cc(C#N)cnc2-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)CCO1.C[C@H]1CN(c2cc(C#N)cnc2-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)CCO1.N#Cc1ccc(N2CCOCC2)c(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)n1.N#Cc1cnc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CCOCC2)c1.

What is the InChIKey of 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?

The InChIKey is SRNUBTKXCCXXRD-FZVMMIRFSA-N. The full InChI is InChI=1S/C29H26F3N7O2.2C29H25N7O3.2C28H23N7O3/c1-38-11-13-39(14-12-38)22-16-20(29(30,31)32)17-33-25(22)27-36-37-28(41-27)35-26-23(40)15-19-9-5-6-10-21(19)24(34-26)18-7-3-2-4-8-18;2*1-18-17-36(11-12-38-18)23-13-19(15-30)16-31-26(23)28-34-35-29(39-28)33-27-24(37)14-21-9-5-6-10-22(21)25(32-27)20-7-3-2-4-8-20;29-16-18-14-22(35-10-12-37-13-11-35)25(30-17-18)27-33-34-28(38-27)32-26-23(36)15-20-8-4-5-9-21(20)24(31-26)19-6-2-1-3-7-19;29-17-20-10-11-22(35-12-14-37-15-13-35)25(30-20)27-33-34-28(38-27)32-26-23(36)16-19-8-4-5-9-21(19)24(31-26)18-6-2-1-3-7-18/h2-10,16-17,26H,11-15H2,1H3,(H,35,37);2*2-10,13,16,18,27H,11-12,14,17H2,1H3,(H,33,35);1-9,14,17,26H,10-13,15H2,(H,32,34);1-11,26H,12-16H2,(H,32,34)/t26-;18-,27+;18-,27-;2*26-/m10111/s1.

What are the key properties of 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?

5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 2611.77 g/mol, XLogP of 18.04, 25 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-[(2R)-2-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;(3S)-3-[[5-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-2-carbonitrile;5-morpholin-4-yl-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 160917075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).