N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide

C126H118F2N24O13 — CID 157269531

About N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide

N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide (PubChem CID 157269531) has the molecular formula C126H118F2N24O13 and a molecular weight of 2214.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide
• PubChem CID: 157269531
• Molecular Formula: C126H118F2N24O13
• Molecular Weight: 2214.48 g/mol
• Exact Mass: 2212.93
• IUPAC Name: N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide
• SMILES: CCNC(=O)c1cnc(C)nc1N[C@@H](C)c1cc2cccc(-c3ccnc(OC)c3)c2c(=O)n1-c1ccccc1.COc1cc(-c2cccc3cc([C@H](C)Nc4nc(C)ncc4C(=O)N(C)OC)n(-c4ccccc4)c(=O)c23)ccn1.COc1cc(-c2cccc3cc([C@H](C)Nc4nc(C)ncc4C(=O)N4CC(F)(F)C4)n(-c4ccccc4)c(=O)c23)ccn1.COc1cc(-c2cccc3cc([C@H](C)Nc4nc(C)ncc4C(=O)NC4CC4)n(-c4ccccc4)c(=O)c23)ccn1
• InChI: InChI=1S/C32H28F2N6O3.C32H30N6O3.C31H30N6O4.C31H30N6O3/c1-19(37-29-25(16-36-20(2)38-29)30(41)39-17-32(33,34)18-39)26-14-22-8-7-11-24(21-12-13-35-27(15-21)43-3)28(22)31(42)40(26)23-9-5-4-6-10-23;1-19(35-30-26(18-34-20(2)36-30)31(39)37-23-12-13-23)27-16-22-8-7-11-25(21-14-15-33-28(17-21)41-3)29(22)32(40)38(27)24-9-5-4-6-10-24;1-19(34-29-25(18-33-20(2)35-29)30(38)36(3)41-5)26-16-22-10-9-13-24(21-14-15-32-27(17-21)40-4)28(22)31(39)37(26)23-11-7-6-8-12-23;1-5-32-30(38)25-18-34-20(3)36-29(25)35-19(2)26-16-22-10-9-13-24(21-14-15-33-27(17-21)40-4)28(22)31(39)37(26)23-11-7-6-8-12-23/h4-16,19H,17-18H2,1-3H3,(H,36,37,38);4-11,14-19,23H,12-13H2,1-3H3,(H,37,39)(H,34,35,36);6-19H,1-5H3,(H,33,34,35);6-19H,5H2,1-4H3,(H,32,38)(H,34,35,36)/t4*19-/m0000/s1
• InChIKey: AYJKNBKGQLCSMH-FXPUYFAYSA-N
• XLogP: 20.70
• TPSA: 435.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.48
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide?

The IUPAC name of N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide (CID 157269531) is N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide?

The canonical SMILES for N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide is CCNC(=O)c1cnc(C)nc1N[C@@H](C)c1cc2cccc(-c3ccnc(OC)c3)c2c(=O)n1-c1ccccc1.COc1cc(-c2cccc3cc([C@H](C)Nc4nc(C)ncc4C(=O)N(C)OC)n(-c4ccccc4)c(=O)c23)ccn1.COc1cc(-c2cccc3cc([C@H](C)Nc4nc(C)ncc4C(=O)N4CC(F)(F)C4)n(-c4ccccc4)c(=O)c23)ccn1.COc1cc(-c2cccc3cc([C@H](C)Nc4nc(C)ncc4C(=O)NC4CC4)n(-c4ccccc4)c(=O)c23)ccn1.

What is the InChIKey of N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide?

The InChIKey is AYJKNBKGQLCSMH-FXPUYFAYSA-N. The full InChI is InChI=1S/C32H28F2N6O3.C32H30N6O3.C31H30N6O4.C31H30N6O3/c1-19(37-29-25(16-36-20(2)38-29)30(41)39-17-32(33,34)18-39)26-14-22-8-7-11-24(21-12-13-35-27(15-21)43-3)28(22)31(42)40(26)23-9-5-4-6-10-23;1-19(35-30-26(18-34-20(2)36-30)31(39)37-23-12-13-23)27-16-22-8-7-11-25(21-14-15-33-28(17-21)41-3)29(22)32(40)38(27)24-9-5-4-6-10-24;1-19(34-29-25(18-33-20(2)35-29)30(38)36(3)41-5)26-16-22-10-9-13-24(21-14-15-32-27(17-21)40-4)28(22)31(39)37(26)23-11-7-6-8-12-23;1-5-32-30(38)25-18-34-20(3)36-29(25)35-19(2)26-16-22-10-9-13-24(21-14-15-33-27(17-21)40-4)28(22)31(39)37(26)23-11-7-6-8-12-23/h4-16,19H,17-18H2,1-3H3,(H,36,37,38);4-11,14-19,23H,12-13H2,1-3H3,(H,37,39)(H,34,35,36);6-19H,1-5H3,(H,33,34,35);6-19H,5H2,1-4H3,(H,32,38)(H,34,35,36)/t4*19-/m0000/s1.

What are the key properties of N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide?

N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide has a molecular weight of 2214.48 g/mol, XLogP of 20.70, 31 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;3-[(1S)-1-[[5-(3,3-difluoroazetidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]ethyl]-8-(2-methoxy-4-pyridinyl)-2-phenylisoquinolin-1-one;N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-methoxy-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-N,2-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 157269531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).