3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine

C110H109ClN30O9 — CID 159728375

IUPAC3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine
SMILESCC(=O)c1cnc(N)nc1Cl.CC(=O)c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.CNC.C[C@H](N)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nc(N)ncc1C(=O)N(C)C)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nc(N)ncc1C(=O)O)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H28N8O2.C27H25N7O2.C26H23N7O3.C21H20N4O.C6H6ClN3O.C2H7N/c1-17(32-25-22(26(37)34(2)3)15-30-28(29)33-25)23-13-18-9-8-12-21(19-14-31-35(4)16-19)24(18)27(38)36(23)20-10-6-5-7-11-20;1-16(31-25-22(17(2)35)14-29-27(28)32-25)23-12-18-8-7-11-21(19-13-30-33(3)15-19)24(18)26(36)34(23)20-9-5-4-6-10-20;1-15(30-23-20(25(35)36)13-28-26(27)31-23)21-11-16-7-6-10-19(17-12-29-32(2)14-17)22(16)24(34)33(21)18-8-4-3-5-9-18;1-14(22)19-11-15-7-6-10-18(16-12-23-24(2)13-16)20(15)21(26)25(19)17-8-4-3-5-9-17;1-3(11)4-2-9-6(8)10-5(4)7;1-3-2/h5-17H,1-4H3,(H3,29,30,32,33);4-16H,1-3H3,(H3,28,29,31,32);3-15H,1-2H3,(H,35,36)(H3,27,28,30,31);3-14H,22H2,1-2H3;2H,1H3,(H2,8,9,10);3H,1-2H3/t17-;16-;15-;14-;;/m0000../s1
InChIKeyNAXNNBPCSUIVAE-MSZUKQIASA-N
MW2030.74 g/mol
LogP15.57
Rot. Bonds22

About 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine

3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine (PubChem CID 159728375) has the molecular formula C110H109ClN30O9 and a molecular weight of 2030.74 g/mol. Its IUPAC name is 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine.

Molecular Properties

Compound Name3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine
PubChem CID159728375
Molecular FormulaC110H109ClN30O9
Molecular Weight2030.74 g/mol
Exact Mass2028.87
IUPAC Name3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine
SMILESCC(=O)c1cnc(N)nc1Cl.CC(=O)c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.CNC.C[C@H](N)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nc(N)ncc1C(=O)N(C)C)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nc(N)ncc1C(=O)O)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H28N8O2.C27H25N7O2.C26H23N7O3.C21H20N4O.C6H6ClN3O.C2H7N/c1-17(32-25-22(26(37)34(2)3)15-30-28(29)33-25)23-13-18-9-8-12-21(19-14-31-35(4)16-19)24(18)27(38)36(23)20-10-6-5-7-11-20;1-16(31-25-22(17(2)35)14-29-27(28)32-25)23-12-18-8-7-11-21(19-13-30-33(3)15-19)24(18)26(36)34(23)20-9-5-4-6-10-20;1-15(30-23-20(25(35)36)13-28-26(27)31-23)21-11-16-7-6-10-19(17-12-29-32(2)14-17)22(16)24(34)33(21)18-8-4-3-5-9-18;1-14(22)19-11-15-7-6-10-18(16-12-23-24(2)13-16)20(15)21(26)25(19)17-8-4-3-5-9-17;1-3(11)4-2-9-6(8)10-5(4)7;1-3-2/h5-17H,1-4H3,(H3,29,30,32,33);4-16H,1-3H3,(H3,28,29,31,32);3-15H,1-2H3,(H,35,36)(H3,27,28,30,31);3-14H,22H2,1-2H3;2H,1H3,(H2,8,9,10);3H,1-2H3/t17-;16-;15-;14-;;/m0000../s1
InChIKeyNAXNNBPCSUIVAE-MSZUKQIASA-N
XLogP15.57
TPSA532.37 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002030.74
LogP ≤ 515.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine with MolForge

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Related Compounds

N-[(1S)-1-[8-chloro-2-(3,4-difluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(trifluoromethyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159678309
2-amino-N-methyl-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;2-amino-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;methanamine;hydrochloride
CID 157817195
3-[(1S)-1-aminoethyl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-iodopyrimidin-4-yl)amino]ethyl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(2-chloro-5-iodopyrimidin-4-yl)amino]ethyl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;2-cyclopropyl-3-[(1S)-1-[(2,5-diaminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;2,4-dichloro-5-iodopyrimidine
CID 158126725
2-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-(1-ethylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-ethylpyrazol-4-yl)boronic acid
CID 158361529
3-[(1S)-1-aminoethyl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-iodopyrimidin-4-yl)amino]ethyl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(2-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(2-chloro-5-iodopyrimidin-4-yl)amino]ethyl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;2,4-dichloro-5-iodopyrimidine
CID 159035004
N-[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(5-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(6-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159401534
bis(N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide);bis(N-[(1S)-1-[8-chloro-2-[2-(methylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide)
CID 159408456
3-[(1S)-1-[[2-amino-5-(azetidine-1-carbonyl)pyrimidin-4-yl]amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;azetidine;hydrochloride
CID 159668469
bis(7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);1-[7-[benzyl(methyl)amino]-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;cyclopropanamine
CID 159831469
3-[(1S)-1-aminoethyl]-8-chloro-2-(4-fluorophenyl)isoquinolin-1-one;N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 159972767
4-[4-(aminomethyl)-3-methylphenyl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine;1-tert-butylpyrazole-4-carboxylic acid;1-(1-tert-butylpyrazol-4-yl)-3-[2-methyl-4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]propan-1-one
CID 160108099
3-[(1S)-1-aminoethyl]-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenyl-2H-naphthalen-1-one;2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane
CID 160262773

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine?
The IUPAC name of 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine (CID 159728375) is 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine.
What is the SMILES notation for 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine?
The canonical SMILES for 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine is CC(=O)c1cnc(N)nc1Cl.CC(=O)c1cnc(N)nc1N[C@@H](C)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.CNC.C[C@H](N)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nc(N)ncc1C(=O)N(C)C)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1nc(N)ncc1C(=O)O)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine?
The InChIKey is NAXNNBPCSUIVAE-MSZUKQIASA-N. The full InChI is InChI=1S/C28H28N8O2.C27H25N7O2.C26H23N7O3.C21H20N4O.C6H6ClN3O.C2H7N/c1-17(32-25-22(26(37)34(2)3)15-30-28(29)33-25)23-13-18-9-8-12-21(19-14-31-35(4)16-19)24(18)27(38)36(23)20-10-6-5-7-11-20;1-16(31-25-22(17(2)35)14-29-27(28)32-25)23-12-18-8-7-11-21(19-13-30-33(3)15-19)24(18)26(36)34(23)20-9-5-4-6-10-20;1-15(30-23-20(25(35)36)13-28-26(27)31-23)21-11-16-7-6-10-19(17-12-29-32(2)14-17)22(16)24(34)33(21)18-8-4-3-5-9-18;1-14(22)19-11-15-7-6-10-18(16-12-23-24(2)13-16)20(15)21(26)25(19)17-8-4-3-5-9-17;1-3(11)4-2-9-6(8)10-5(4)7;1-3-2/h5-17H,1-4H3,(H3,29,30,32,33);4-16H,1-3H3,(H3,28,29,31,32);3-15H,1-2H3,(H,35,36)(H3,27,28,30,31);3-14H,22H2,1-2H3;2H,1H3,(H2,8,9,10);3H,1-2H3/t17-;16-;15-;14-;;/m0000../s1.
What are the key properties of 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine?
3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine has a molecular weight of 2030.74 g/mol, XLogP of 15.57, 22 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;1-(2-amino-4-chloropyrimidin-5-yl)ethanone;2-amino-N,N-dimethyl-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-aminoethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-amino-4-[[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxylic acid;N-methylmethanamine is sourced from PubChem (CID 159728375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).