(3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one

C152H143N31O15S — CID 159377197

About (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one

(3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (PubChem CID 159377197) has the molecular formula C152H143N31O15S and a molecular weight of 2676.08 g/mol. Its IUPAC name is (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

• Compound Name: (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
• PubChem CID: 159377197
• Molecular Formula: C152H143N31O15S
• Molecular Weight: 2676.08 g/mol
• Exact Mass: 2674.11
• IUPAC Name: (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
• SMILES: N#Cc1cc(N2CCOCC2)c(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)s1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ccc(N3CCCC3)cc2N2CCOCC2)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2nc(C3CC3)ccc2N2CCOCC2)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(C3CC3)cc2N2CC3CCC(C2)O3)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(N3CCCC3)cc2N2CCOCC2)o1
• InChI: InChI=1S/C32H30N6O3.C32H32N6O3.C31H31N7O3.C30H28N6O3.C27H22N6O3S/c39-27-15-21-8-4-5-9-25(21)28(20-6-2-1-3-7-20)34-30(27)35-32-37-36-31(41-32)29-26(14-22(16-33-29)19-10-11-19)38-17-23-12-13-24(18-38)40-23;39-28-20-23-10-4-5-11-25(23)29(22-8-2-1-3-9-22)33-30(28)34-32-36-35-31(41-32)26-13-12-24(37-14-6-7-15-37)21-27(26)38-16-18-40-19-17-38;39-26-18-22-10-4-5-11-24(22)27(21-8-2-1-3-9-21)33-29(26)34-31-36-35-30(41-31)28-25(38-14-16-40-17-15-38)19-23(20-32-28)37-12-6-7-13-37;37-25-18-21-8-4-5-9-22(21)26(20-6-2-1-3-7-20)32-28(25)33-30-35-34-29(39-30)27-24(36-14-16-38-17-15-36)13-12-23(31-27)19-10-11-19;28-16-19-15-21(33-10-12-35-13-11-33)24(37-19)26-31-32-27(36-26)30-25-22(34)14-18-8-4-5-9-20(18)23(29-25)17-6-2-1-3-7-17/h1-9,14,16,19,23-24,30H,10-13,15,17-18H2,(H,35,37);1-5,8-13,21,30H,6-7,14-20H2,(H,34,36);1-5,8-11,19-20,29H,6-7,12-18H2,(H,34,36);1-9,12-13,19,28H,10-11,14-18H2,(H,33,35);1-9,15,25H,10-14H2,(H,30,32)/t23?,24?,30-;30-;29-;28-;25-/m11111/s1
• InChIKey: LKLUTGMYZWCUJB-UTADEQMVSA-N
• XLogP: 21.47
• TPSA: 533.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 29
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2676.08
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

The IUPAC name of (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (CID 159377197) is (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.

What is the SMILES notation for (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

The canonical SMILES for (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is N#Cc1cc(N2CCOCC2)c(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)s1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ccc(N3CCCC3)cc2N2CCOCC2)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2nc(C3CC3)ccc2N2CCOCC2)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(C3CC3)cc2N2CC3CCC(C2)O3)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(N3CCCC3)cc2N2CCOCC2)o1.

What is the InChIKey of (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

The InChIKey is LKLUTGMYZWCUJB-UTADEQMVSA-N. The full InChI is InChI=1S/C32H30N6O3.C32H32N6O3.C31H31N7O3.C30H28N6O3.C27H22N6O3S/c39-27-15-21-8-4-5-9-25(21)28(20-6-2-1-3-7-20)34-30(27)35-32-37-36-31(41-32)29-26(14-22(16-33-29)19-10-11-19)38-17-23-12-13-24(18-38)40-23;39-28-20-23-10-4-5-11-25(23)29(22-8-2-1-3-9-22)33-30(28)34-32-36-35-31(41-32)26-13-12-24(37-14-6-7-15-37)21-27(26)38-16-18-40-19-17-38;39-26-18-22-10-4-5-11-24(22)27(21-8-2-1-3-9-21)33-29(26)34-31-36-35-30(41-31)28-25(38-14-16-40-17-15-38)19-23(20-32-28)37-12-6-7-13-37;37-25-18-21-8-4-5-9-22(21)26(20-6-2-1-3-7-20)32-28(25)33-30-35-34-29(39-30)27-24(36-14-16-38-17-15-36)13-12-23(31-27)19-10-11-19;28-16-19-15-21(33-10-12-35-13-11-33)24(37-19)26-31-32-27(36-26)30-25-22(34)14-18-8-4-5-9-20(18)23(29-25)17-6-2-1-3-7-17/h1-9,14,16,19,23-24,30H,10-13,15,17-18H2,(H,35,37);1-5,8-13,21,30H,6-7,14-20H2,(H,34,36);1-5,8-11,19-20,29H,6-7,12-18H2,(H,34,36);1-9,12-13,19,28H,10-11,14-18H2,(H,33,35);1-9,15,25H,10-14H2,(H,30,32)/t23?,24?,30-;30-;29-;28-;25-/m11111/s1.

What are the key properties of (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?

(3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 2676.08 g/mol, XLogP of 21.47, 29 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[5-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[5-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;4-morpholin-4-yl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]thiophene-2-carbonitrile;(3S)-3-[[5-(2-morpholin-4-yl-4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-morpholin-4-yl-5-pyrrolidin-1-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 159377197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).