(1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile

C144H136F4N32O4 — CID 157091398

About (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile

(1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile (PubChem CID 157091398) has the molecular formula C144H136F4N32O4 and a molecular weight of 2454.88 g/mol. Its IUPAC name is (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile
• PubChem CID: 157091398
• Molecular Formula: C144H136F4N32O4
• Molecular Weight: 2454.88 g/mol
• Exact Mass: 2453.14
• IUPAC Name: (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile
• SMILES: Cc1ccccc1-c1cc(N)c2cnc(Nc3ccn([C@@H](C)C#N)n3)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(Nc3ccn([C@H](C)C#N)n3)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)c1F.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)c1F.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3[C@@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)c1F.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)c1F
• InChI: InChI=1S/4C25H24FN5O.2C22H20N6/c4*1-13-6-4-5-7-17(13)18-8-15-9-20(28-11-19(15)24(27)23(18)26)30-25(32)22-14(2)21(22)16-10-29-31(3)12-16;2*1-14-5-3-4-6-18(14)16-9-17-11-22(25-13-19(17)20(24)10-16)26-21-7-8-28(27-21)15(2)12-23/h4*4-12,14,21-22H,27H2,1-3H3,(H,28,30,32);2*3-11,13,15H,24H2,1-2H3,(H,25,26,27)/t2*14-,21+,22-;2*14-,21-,22+;2*15-/m101010/s1
• InChIKey: AESAMLVRQCDDJA-AYYCYRTGSA-N
• XLogP: 28.25
• TPSA: 528.42 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.88
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile?

The IUPAC name of (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile (CID 157091398) is (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile.

What is the SMILES notation for (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile?

The canonical SMILES for (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile is Cc1ccccc1-c1cc(N)c2cnc(Nc3ccn([C@@H](C)C#N)n3)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(Nc3ccn([C@H](C)C#N)n3)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)c1F.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)c1F.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3[C@@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)c1F.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)c1F.

What is the InChIKey of (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile?

The InChIKey is AESAMLVRQCDDJA-AYYCYRTGSA-N. The full InChI is InChI=1S/4C25H24FN5O.2C22H20N6/c4*1-13-6-4-5-7-17(13)18-8-15-9-20(28-11-19(15)24(27)23(18)26)30-25(32)22-14(2)21(22)16-10-29-31(3)12-16;2*1-14-5-3-4-6-18(14)16-9-17-11-22(25-13-19(17)20(24)10-16)26-21-7-8-28(27-21)15(2)12-23/h4*4-12,14,21-22H,27H2,1-3H3,(H,28,30,32);2*3-11,13,15H,24H2,1-2H3,(H,25,26,27)/t2*14-,21+,22-;2*14-,21-,22+;2*15-/m101010/s1.

What are the key properties of (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile?

(1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile has a molecular weight of 2454.88 g/mol, XLogP of 28.25, 24 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(2R)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2S)-2-[3-[[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 157091398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).