3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine

C114H126F3N29O7 — CID 167551181

IUPAC3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
SMILESCN1CCc2c(cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C(F)(F)F)C1.CNc1c(-c2cnc(N)c(OCc3ccncc3)n2)ccc2c1CN(C)CC2.COc1cnc2[nH]ccc2c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OCc3c(C)cnc4[nH]ccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC(C)C)n2)cc2c1CCN(C)C2
InChIInChI=1S/C24H26N6O2.C24H30N6O2.C24H26N6O.C21H20F3N5O.C21H24N6O/c1-14-8-15(9-16-12-30(2)7-5-17(14)16)20-10-27-22(25)24(29-20)32-13-19-18-4-6-26-23(18)28-11-21(19)31-3;1-14(2)32-21-16(5-7-27-22(21)25)13-31-24-23(26)28-11-20(29-24)17-9-15(3)19-6-8-30(4)12-18(19)10-17;1-14-8-16(9-17-12-30(3)7-5-18(14)17)21-11-27-22(25)24(29-21)31-13-20-15(2)10-28-23-19(20)4-6-26-23;1-29-7-4-16-15(11-29)8-14(9-17(16)21(22,23)24)18-10-27-19(25)20(28-18)30-12-13-2-5-26-6-3-13;1-23-19-16(4-3-15-7-10-27(2)12-17(15)19)18-11-25-20(22)21(26-18)28-13-14-5-8-24-9-6-14/h4,6,8-11H,5,7,12-13H2,1-3H3,(H2,25,27)(H,26,28);5,7,9-11,14H,6,8,12-13H2,1-4H3,(H2,25,27)(H2,26,28);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,25,27)(H,26,28);2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,25,27);3-6,8-9,11,23H,7,10,12-13H2,1-2H3,(H2,22,25)
InChIKeyCKQHYICEKLQINY-UHFFFAOYSA-N
MW2071.45 g/mol
LogP17.07
Rot. Bonds24

About 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine

3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine (PubChem CID 167551181) has the molecular formula C114H126F3N29O7 and a molecular weight of 2071.45 g/mol. Its IUPAC name is 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
PubChem CID167551181
Molecular FormulaC114H126F3N29O7
Molecular Weight2071.45 g/mol
Exact Mass2070.03
IUPAC Name3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
SMILESCN1CCc2c(cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C(F)(F)F)C1.CNc1c(-c2cnc(N)c(OCc3ccncc3)n2)ccc2c1CN(C)CC2.COc1cnc2[nH]ccc2c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OCc3c(C)cnc4[nH]ccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC(C)C)n2)cc2c1CCN(C)C2
InChIInChI=1S/C24H26N6O2.C24H30N6O2.C24H26N6O.C21H20F3N5O.C21H24N6O/c1-14-8-15(9-16-12-30(2)7-5-17(14)16)20-10-27-22(25)24(29-20)32-13-19-18-4-6-26-23(18)28-11-21(19)31-3;1-14(2)32-21-16(5-7-27-22(21)25)13-31-24-23(26)28-11-20(29-24)17-9-15(3)19-6-8-30(4)12-18(19)10-17;1-14-8-16(9-17-12-30(3)7-5-18(14)17)21-11-27-22(25)24(29-21)31-13-20-15(2)10-28-23-19(20)4-6-26-23;1-29-7-4-16-15(11-29)8-14(9-17(16)21(22,23)24)18-10-27-19(25)20(28-18)30-12-13-2-5-26-6-3-13;1-23-19-16(4-3-15-7-10-27(2)12-17(15)19)18-11-25-20(22)21(26-18)28-13-14-5-8-24-9-6-14/h4,6,8-11H,5,7,12-13H2,1-3H3,(H2,25,27)(H,26,28);5,7,9-11,14H,6,8,12-13H2,1-4H3,(H2,25,27)(H2,26,28);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,25,27)(H,26,28);2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,25,27);3-6,8-9,11,23H,7,10,12-13H2,1-2H3,(H2,22,25)
InChIKeyCKQHYICEKLQINY-UHFFFAOYSA-N
XLogP17.07
TPSA473.89 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002071.45
LogP ≤ 517.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-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

7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;3-[(3-cyclohexyloxy-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-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine
CID 167587500
3-[(2-amino-3-cyclopropyloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-methoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(2-methylpropoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(2-phenylethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;5-(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethoxy)pyrazin-2-amine
CID 167570464
3-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxythieno[2,3-c]pyridin-7-amine;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-methyl-4-pyridinyl)methoxy]-5-(2,8-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazin-2-amine
CID 167584981
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
3-[(2-amino-3-cyclopropyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-5-cyclopropyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]pyridine-2,6-diamine;3-[(2-amino-6-methyl-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-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine
CID 167631436
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(2-methoxy-1,3-thiazol-4-yl)methoxy]pyrazin-2-amine
CID 165154495
4-[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxyethyl]-1,3-dihydrobenzimidazol-2-one
CID 165154390
3-[1-(2,6-dichloro-3-isocyanophenyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 165154489
2-amino-4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]pyridine-3-carbonitrile;3-(4-cyclopentyloxypyrazol-1-yl)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
CID 167709828
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(6-methyl-3-pyridinyl)ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 167606651
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyrazin-2-amine
CID 176913138
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine
CID 176913126

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine (CID 167551181) is 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine is CN1CCc2c(cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C(F)(F)F)C1.CNc1c(-c2cnc(N)c(OCc3ccncc3)n2)ccc2c1CN(C)CC2.COc1cnc2[nH]ccc2c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OCc3c(C)cnc4[nH]ccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC(C)C)n2)cc2c1CCN(C)C2.
What is the InChIKey of 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
The InChIKey is CKQHYICEKLQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C24H30N6O2.C24H26N6O.C21H20F3N5O.C21H24N6O/c1-14-8-15(9-16-12-30(2)7-5-17(14)16)20-10-27-22(25)24(29-20)32-13-19-18-4-6-26-23(18)28-11-21(19)31-3;1-14(2)32-21-16(5-7-27-22(21)25)13-31-24-23(26)28-11-20(29-24)17-9-15(3)19-6-8-30(4)12-18(19)10-17;1-14-8-16(9-17-12-30(3)7-5-18(14)17)21-11-27-22(25)24(29-21)31-13-20-15(2)10-28-23-19(20)4-6-26-23;1-29-7-4-16-15(11-29)8-14(9-17(16)21(22,23)24)18-10-27-19(25)20(28-18)30-12-13-2-5-26-6-3-13;1-23-19-16(4-3-15-7-10-27(2)12-17(15)19)18-11-25-20(22)21(26-18)28-13-14-5-8-24-9-6-14/h4,6,8-11H,5,7,12-13H2,1-3H3,(H2,25,27)(H,26,28);5,7,9-11,14H,6,8,12-13H2,1-4H3,(H2,25,27)(H2,26,28);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,25,27)(H,26,28);2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,25,27);3-6,8-9,11,23H,7,10,12-13H2,1-2H3,(H2,22,25).
What are the key properties of 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?
3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine has a molecular weight of 2071.45 g/mol, XLogP of 17.07, 24 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-propan-2-yloxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;7-[5-amino-6-(pyridin-4-ylmethoxy)pyrazin-2-yl]-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]pyrazin-2-amine;5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine is sourced from PubChem (CID 167551181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).