8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one

C123H106ClF4N35O5 — CID 157276610

IUPAC8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one
SMILES[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(C)c2c(=O)n1-c1ccccc1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(C)c2c(=O)n1-c1ccccc1C)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(F)c2c(=O)n1-c1ccccc1)C1CC1
InChIInChI=1S/C26H25N7O.C25H23N7O.C24H19ClFN7O.C24H19F2N7O.C24H20FN7O/c1-14-7-4-5-10-18(14)33-19(13-17-9-6-8-15(2)20(17)25(33)34)21(16-11-12-16)30-24-22(29-3)23(27)31-26(28)32-24;1-14-7-6-8-16-13-18(32(24(33)19(14)16)17-9-4-3-5-10-17)20(15-11-12-15)29-23-21(28-2)22(26)30-25(27)31-23;1-29-20-21(27)31-24(28)32-22(20)30-19(12-8-9-12)17-10-13-4-2-7-16(25)18(13)23(34)33(17)15-6-3-5-14(26)11-15;1-29-20-21(27)31-24(28)32-22(20)30-19(12-8-9-12)17-10-13-4-2-7-16(26)18(13)23(34)33(17)15-6-3-5-14(25)11-15;1-28-20-21(26)30-24(27)31-22(20)29-19(13-10-11-13)17-12-14-6-5-9-16(25)18(14)23(33)32(17)15-7-3-2-4-8-15/h4-10,13,16,21H,11-12H2,1-2H3,(H5,27,28,30,31,32);3-10,13,15,20H,11-12H2,1H3,(H5,26,27,29,30,31);2*2-7,10-12,19H,8-9H2,(H5,27,28,30,31,32);2-9,12-13,19H,10-11H2,(H5,26,27,29,30,31)/t21-;20-;3*19-/m00000/s1
InChIKeyAZEJFJPUDMGFKQ-COWFZBIQSA-N
MW2265.89 g/mol
LogP22.43
Rot. Bonds25

About 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one

8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one (PubChem CID 157276610) has the molecular formula C123H106ClF4N35O5 and a molecular weight of 2265.89 g/mol. Its IUPAC name is 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one
PubChem CID157276610
Molecular FormulaC123H106ClF4N35O5
Molecular Weight2265.89 g/mol
Exact Mass2263.87
IUPAC Name8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one
SMILES[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(C)c2c(=O)n1-c1ccccc1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(C)c2c(=O)n1-c1ccccc1C)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(F)c2c(=O)n1-c1ccccc1)C1CC1
InChIInChI=1S/C26H25N7O.C25H23N7O.C24H19ClFN7O.C24H19F2N7O.C24H20FN7O/c1-14-7-4-5-10-18(14)33-19(13-17-9-6-8-15(2)20(17)25(33)34)21(16-11-12-16)30-24-22(29-3)23(27)31-26(28)32-24;1-14-7-6-8-16-13-18(32(24(33)19(14)16)17-9-4-3-5-10-17)20(15-11-12-15)29-23-21(28-2)22(26)30-25(27)31-23;1-29-20-21(27)31-24(28)32-22(20)30-19(12-8-9-12)17-10-13-4-2-7-16(25)18(13)23(34)33(17)15-6-3-5-14(26)11-15;1-29-20-21(27)31-24(28)32-22(20)30-19(12-8-9-12)17-10-13-4-2-7-16(26)18(13)23(34)33(17)15-6-3-5-14(25)11-15;1-28-20-21(26)30-24(27)31-22(20)29-19(13-10-11-13)17-12-14-6-5-9-16(25)18(14)23(33)32(17)15-7-3-2-4-8-15/h4-10,13,16,21H,11-12H2,1-2H3,(H5,27,28,30,31,32);3-10,13,15,20H,11-12H2,1H3,(H5,26,27,29,30,31);2*2-7,10-12,19H,8-9H2,(H5,27,28,30,31,32);2-9,12-13,19H,10-11H2,(H5,26,27,29,30,31)/t21-;20-;3*19-/m00000/s1
InChIKeyAZEJFJPUDMGFKQ-COWFZBIQSA-N
XLogP22.43
TPSA581.05 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.89
LogP ≤ 522.43
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 153496332
2,4-diamino-6-[[(1S)-1-[8-fluoro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 146625888
2-amino-4-[[(1S)-1-[8-fluoro-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]amino]-6-methylpyrimidine-5-carbonitrile
CID 137476621
2,4-diamino-6-[1-[8-chloro-2-(3,5-difluorophenyl)-1-oxoisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 137463969
2-amino-4-[1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethylamino]-6-methyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 134427672
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]carbamic acid
CID 137463939
2,4-diamino-6-[[1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)-2-methylpropyl]amino]pyrimidine-5-carbonitrile
CID 90250815
2-amino-4-[1-[8-chloro-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 78051639
3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-8-chloro-2-(4-fluoro-3-methoxyphenyl)isoquinolin-1-one
CID 123180771
3-[5-chloro-2-[(S)-cyclopropyl-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]methyl]-8-fluoro-4-oxoquinazolin-3-yl]benzamide
CID 118571473
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl] carbamate
CID 175039954
8-chloro-3-[(1S)-1-[(2,6-diaminopyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 58008991

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one?
The IUPAC name of 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one (CID 157276610) is 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one.
What is the SMILES notation for 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one?
The canonical SMILES for 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one is [C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(C)c2c(=O)n1-c1ccccc1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(C)c2c(=O)n1-c1ccccc1C)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1)C1CC1.[C-]#[N+]c1c(N)nc(N)nc1N[C@H](c1cc2cccc(F)c2c(=O)n1-c1ccccc1)C1CC1.
What is the InChIKey of 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one?
The InChIKey is AZEJFJPUDMGFKQ-COWFZBIQSA-N. The full InChI is InChI=1S/C26H25N7O.C25H23N7O.C24H19ClFN7O.C24H19F2N7O.C24H20FN7O/c1-14-7-4-5-10-18(14)33-19(13-17-9-6-8-15(2)20(17)25(33)34)21(16-11-12-16)30-24-22(29-3)23(27)31-26(28)32-24;1-14-7-6-8-16-13-18(32(24(33)19(14)16)17-9-4-3-5-10-17)20(15-11-12-15)29-23-21(28-2)22(26)30-25(27)31-23;1-29-20-21(27)31-24(28)32-22(20)30-19(12-8-9-12)17-10-13-4-2-7-16(25)18(13)23(34)33(17)15-6-3-5-14(26)11-15;1-29-20-21(27)31-24(28)32-22(20)30-19(12-8-9-12)17-10-13-4-2-7-16(26)18(13)23(34)33(17)15-6-3-5-14(25)11-15;1-28-20-21(26)30-24(27)31-22(20)29-19(13-10-11-13)17-12-14-6-5-9-16(25)18(14)23(33)32(17)15-7-3-2-4-8-15/h4-10,13,16,21H,11-12H2,1-2H3,(H5,27,28,30,31,32);3-10,13,15,20H,11-12H2,1H3,(H5,26,27,29,30,31);2*2-7,10-12,19H,8-9H2,(H5,27,28,30,31,32);2-9,12-13,19H,10-11H2,(H5,26,27,29,30,31)/t21-;20-;3*19-/m00000/s1.
What are the key properties of 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one?
8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one has a molecular weight of 2265.89 g/mol, XLogP of 22.43, 25 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-(3-fluorophenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-fluoro-2-phenylisoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(S)-cyclopropyl-[(2,6-diamino-5-isocyanopyrimidin-4-yl)amino]methyl]-8-methyl-2-phenylisoquinolin-1-one is sourced from PubChem (CID 157276610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).