N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine

C112H126ClFN28O7 — CID 167600386

IUPACN-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
SMILESCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CN1CCc2c(Cl)cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C1.CN1CCc2c(F)cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C1.Cc1cc(-c2cnc(N)c(OCc3ccncc3)n2)cc2c1CCN(CCCN(C)C)C2
InChIInChI=1S/C25H32N6O.C24H28N6O2.C23H26N6O2.C20H20ClN5O.C20H20FN5O/c1-18-13-20(14-21-16-31(12-7-22(18)21)11-4-10-30(2)3)23-15-28-24(26)25(29-23)32-17-19-5-8-27-9-6-19;1-4-22(31)29-21-10-16(5-7-26-21)14-32-24-23(25)27-12-20(28-24)17-9-15(2)19-6-8-30(3)13-18(19)11-17;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30;2*1-26-7-4-16-15(11-26)8-14(9-17(16)21)18-10-24-19(22)20(25-18)27-12-13-2-5-23-6-3-13/h5-6,8-9,13-15H,4,7,10-12,16-17H2,1-3H3,(H2,26,28);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,25,27)(H,26,29,31);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30);2*2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,22,24)
InChIKeyJQKZXXCTYNUMDU-UHFFFAOYSA-N
MW2030.88 g/mol
LogP15.79
Rot. Bonds27

About N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine

N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine (PubChem CID 167600386) has the molecular formula C112H126ClFN28O7 and a molecular weight of 2030.88 g/mol. Its IUPAC name is N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
PubChem CID167600386
Molecular FormulaC112H126ClFN28O7
Molecular Weight2030.88 g/mol
Exact Mass2029.00
IUPAC NameN-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
SMILESCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CN1CCc2c(Cl)cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C1.CN1CCc2c(F)cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C1.Cc1cc(-c2cnc(N)c(OCc3ccncc3)n2)cc2c1CCN(CCCN(C)C)C2
InChIInChI=1S/C25H32N6O.C24H28N6O2.C23H26N6O2.C20H20ClN5O.C20H20FN5O/c1-18-13-20(14-21-16-31(12-7-22(18)21)11-4-10-30(2)3)23-15-28-24(26)25(29-23)32-17-19-5-8-27-9-6-19;1-4-22(31)29-21-10-16(5-7-26-21)14-32-24-23(25)27-12-20(28-24)17-9-15(2)19-6-8-30(3)13-18(19)11-17;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30;2*1-26-7-4-16-15(11-26)8-14(9-17(16)21)18-10-24-19(22)20(25-18)27-12-13-2-5-23-6-3-13/h5-6,8-9,13-15H,4,7,10-12,16-17H2,1-3H3,(H2,26,28);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,25,27)(H,26,29,31);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30);2*2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,22,24)
InChIKeyJQKZXXCTYNUMDU-UHFFFAOYSA-N
XLogP15.79
TPSA447.24 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002030.88
LogP ≤ 515.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-[2,6-dichloro-3-(trifluoromethyl)phenyl]ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine
CID 167612857
N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide
CID 156101351
5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
CID 156101513
N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide
CID 156101523
4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1H-pyridin-2-one;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-N-[(2-amino-4-pyridinyl)methyl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-N-methylpyrazine-2,3-diamine;3-N-[(2-amino-4-pyridinyl)methyl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2,3-diamine
CID 167531804
3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-4-pyridinyl)-dideuteriomethoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine;3-[dideuterio(pyridin-4-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 167567750
4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-1H-pyridin-2-one;3-[(2-amino-5-methoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-N-[(2-amino-4-pyridinyl)methyl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-N-methylpyrazine-2,3-diamine;3-N-[(2-amino-4-pyridinyl)methyl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazine-2,3-diamine;3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-ylmethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 167583136
3-[(2,6-dichlorophenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylmethoxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-3-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine
CID 167613406
3-[7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-tert-butylpropanamide;3-[(2-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-4-pyridinyl)methoxy]pyrazin-2-amine
CID 167617033
3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine
CID 167617700
3-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-2-ynamide;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-amine;3-[1-(2,6-dichloro-3-methylphenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2,6-dichloro-3-methylphenyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine
CID 167628737
3-[1-(6-chloro-3,4-dihydro-1H-isochromen-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-3,4-dihydro-1H-isochromen-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(6-chloro-1,2,3,4-tetrahydroisoquinolin-5-yl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 167644325

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
The IUPAC name of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine (CID 167600386) is N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine.
What is the SMILES notation for N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
The canonical SMILES for N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine is CC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CN1CCc2c(Cl)cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C1.CN1CCc2c(F)cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C1.Cc1cc(-c2cnc(N)c(OCc3ccncc3)n2)cc2c1CCN(CCCN(C)C)C2.
What is the InChIKey of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
The InChIKey is JQKZXXCTYNUMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.C24H28N6O2.C23H26N6O2.C20H20ClN5O.C20H20FN5O/c1-18-13-20(14-21-16-31(12-7-22(18)21)11-4-10-30(2)3)23-15-28-24(26)25(29-23)32-17-19-5-8-27-9-6-19;1-4-22(31)29-21-10-16(5-7-26-21)14-32-24-23(25)27-12-20(28-24)17-9-15(2)19-6-8-30(3)13-18(19)11-17;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30;2*1-26-7-4-16-15(11-26)8-14(9-17(16)21)18-10-24-19(22)20(25-18)27-12-13-2-5-23-6-3-13/h5-6,8-9,13-15H,4,7,10-12,16-17H2,1-3H3,(H2,26,28);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,25,27)(H,26,29,31);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30);2*2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,22,24).
What are the key properties of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine has a molecular weight of 2030.88 g/mol, XLogP of 15.79, 27 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propanamide;5-(5-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-[2-[3-(dimethylamino)propyl]-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine;5-(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(pyridin-4-ylmethoxy)pyrazin-2-amine is sourced from PubChem (CID 167600386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).