3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol

C75H68F2N18O7 — CID 159855680

IUPAC3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol
SMILESC[C@H](N)c1cc2cccc(F)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cn1cc(CO)cn1
InChIInChI=1S/C29H26N8O3.C24H19FN6O2.C17H15FN2O.C5H8N2O/c1-18(33-28(38)25-26(30)34-36-13-7-12-31-27(25)36)22-14-20-8-6-11-23(40-17-19-15-32-35(2)16-19)24(20)29(39)37(22)21-9-4-3-5-10-21;1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16;1-11(19)15-10-12-6-5-9-14(18)16(12)17(21)20(15)13-7-3-2-4-8-13;1-7-3-5(4-8)2-6-7/h3-16,18H,17H2,1-2H3,(H2,30,34)(H,33,38);2-14H,1H3,(H2,26,29)(H,28,32);2-11H,19H2,1H3;2-3,8H,4H2,1H3/t18-;14-;11-;/m000./s1
InChIKeyNQMNZAJSBODWER-WXTNBRRGSA-N
MW1371.48 g/mol
LogP9.73
Rot. Bonds14

About 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol

3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol (PubChem CID 159855680) has the molecular formula C75H68F2N18O7 and a molecular weight of 1371.48 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol
PubChem CID159855680
Molecular FormulaC75H68F2N18O7
Molecular Weight1371.48 g/mol
Exact Mass1370.55
IUPAC Name3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol
SMILESC[C@H](N)c1cc2cccc(F)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cn1cc(CO)cn1
InChIInChI=1S/C29H26N8O3.C24H19FN6O2.C17H15FN2O.C5H8N2O/c1-18(33-28(38)25-26(30)34-36-13-7-12-31-27(25)36)22-14-20-8-6-11-23(40-17-19-15-32-35(2)16-19)24(20)29(39)37(22)21-9-4-3-5-10-21;1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16;1-11(19)15-10-12-6-5-9-14(18)16(12)17(21)20(15)13-7-3-2-4-8-13;1-7-3-5(4-8)2-6-7/h3-16,18H,17H2,1-2H3,(H2,30,34)(H,33,38);2-14H,1H3,(H2,26,29)(H,28,32);2-11H,19H2,1H3;2-3,8H,4H2,1H3/t18-;14-;11-;/m000./s1
InChIKeyNQMNZAJSBODWER-WXTNBRRGSA-N
XLogP9.73
TPSA327.74 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.48
LogP ≤ 59.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol with MolForge

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Related Compounds

N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90643911
2-amino-N-[(1S)-1-(8-methoxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89842245
6-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]oxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexanamide
CID 164617274
2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118002707
2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118002689
N-[4-[[2-[3-[3-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59190431
N-[4-[[5-fluoro-2-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59190474
N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68547427
2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122452135
2-amino-N-[1-[1-oxo-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123509966
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide
CID 138694070
2-Aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-2-phenyl-8-(2,2,2-trifluoroethoxy)isoquinolin-1-one
CID 144824001

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol?
The IUPAC name of 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol (CID 159855680) is 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol is C[C@H](N)c1cc2cccc(F)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1.C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(OCc3cnn(C)c3)c2c(=O)n1-c1ccccc1.Cn1cc(CO)cn1.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol?
The InChIKey is NQMNZAJSBODWER-WXTNBRRGSA-N. The full InChI is InChI=1S/C29H26N8O3.C24H19FN6O2.C17H15FN2O.C5H8N2O/c1-18(33-28(38)25-26(30)34-36-13-7-12-31-27(25)36)22-14-20-8-6-11-23(40-17-19-15-32-35(2)16-19)24(20)29(39)37(22)21-9-4-3-5-10-21;1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16;1-11(19)15-10-12-6-5-9-14(18)16(12)17(21)20(15)13-7-3-2-4-8-13;1-7-3-5(4-8)2-6-7/h3-16,18H,17H2,1-2H3,(H2,30,34)(H,33,38);2-14H,1H3,(H2,26,29)(H,28,32);2-11H,19H2,1H3;2-3,8H,4H2,1H3/t18-;14-;11-;/m000./s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol?
3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol has a molecular weight of 1371.48 g/mol, XLogP of 9.73, 14 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-8-fluoro-2-phenylisoquinolin-1-one;2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-[(1-methylpyrazol-4-yl)methoxy]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 159855680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).