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

C110H131N31O6 — CID 167531804

IUPAC4-[[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
SMILESCOc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(N(C)Cc3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(NCc3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc(N)ncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc[nH]c(=O)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C24H30N6O2.C22H27N7.C22H26N6O2.C21H25N7.C21H23N5O2/c1-14(2)32-21-11-27-22(25)9-18(21)13-31-24-23(26)28-10-20(29-24)16-7-15(3)19-5-6-30(4)12-17(19)8-16;1-14-8-16(10-17-13-28(2)7-5-18(14)17)19-11-26-21(24)22(27-19)29(3)12-15-4-6-25-20(23)9-15;1-13-6-14(7-15-11-28(2)5-4-17(13)15)18-9-26-21(24)22(27-18)30-12-16-8-20(23)25-10-19(16)29-3;1-13-7-15(9-16-12-28(2)6-4-17(13)16)18-11-25-20(23)21(27-18)26-10-14-3-5-24-19(22)8-14;1-13-7-15(9-16-11-26(2)6-4-17(13)16)18-10-24-20(22)21(25-18)28-12-14-3-5-23-19(27)8-14/h7-11,14H,5-6,12-13H2,1-4H3,(H2,25,27)(H2,26,28);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-9,11H,4,6,10,12H2,1-2H3,(H2,22,24)(H2,23,25)(H,26,27);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyABLSUHBJEGVAPJ-UHFFFAOYSA-N
MW1983.47 g/mol
LogP13.49
Rot. Bonds23

About 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

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 (PubChem CID 167531804) has the molecular formula C110H131N31O6 and a molecular weight of 1983.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID167531804
Molecular FormulaC110H131N31O6
Molecular Weight1983.47 g/mol
Exact Mass1982.09
IUPAC Name4-[[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
SMILESCOc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(N(C)Cc3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(NCc3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc(N)ncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc[nH]c(=O)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C24H30N6O2.C22H27N7.C22H26N6O2.C21H25N7.C21H23N5O2/c1-14(2)32-21-11-27-22(25)9-18(21)13-31-24-23(26)28-10-20(29-24)16-7-15(3)19-5-6-30(4)12-17(19)8-16;1-14-8-16(10-17-13-28(2)7-5-18(14)17)19-11-26-21(24)22(27-19)29(3)12-15-4-6-25-20(23)9-15;1-13-6-14(7-15-11-28(2)5-4-17(13)15)18-9-26-21(24)22(27-18)30-12-16-8-20(23)25-10-19(16)29-3;1-13-7-15(9-16-12-28(2)6-4-17(13)16)18-11-25-20(23)21(27-18)26-10-14-3-5-24-19(22)8-14;1-13-7-15(9-16-11-26(2)6-4-17(13)16)18-10-24-20(22)21(25-18)28-12-14-3-5-23-19(27)8-14/h7-11,14H,5-6,12-13H2,1-4H3,(H2,25,27)(H2,26,28);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-9,11H,4,6,10,12H2,1-2H3,(H2,22,24)(H2,23,25)(H,26,27);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H,23,27)
InChIKeyABLSUHBJEGVAPJ-UHFFFAOYSA-N
XLogP13.49
TPSA525.12 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.47
LogP ≤ 513.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cnc(N)cc1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(N(C)Cc3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(NCc3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc(N)ncc3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3cc[nH]c(=O)c3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 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?
The InChIKey is ABLSUHBJEGVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2.C22H27N7.C22H26N6O2.C21H25N7.C21H23N5O2/c1-14(2)32-21-11-27-22(25)9-18(21)13-31-24-23(26)28-10-20(29-24)16-7-15(3)19-5-6-30(4)12-17(19)8-16;1-14-8-16(10-17-13-28(2)7-5-18(14)17)19-11-26-21(24)22(27-19)29(3)12-15-4-6-25-20(23)9-15;1-13-6-14(7-15-11-28(2)5-4-17(13)15)18-9-26-21(24)22(27-18)30-12-16-8-20(23)25-10-19(16)29-3;1-13-7-15(9-16-12-28(2)6-4-17(13)16)18-11-25-20(23)21(27-18)26-10-14-3-5-24-19(22)8-14;1-13-7-15(9-16-11-26(2)6-4-17(13)16)18-10-24-20(22)21(25-18)28-12-14-3-5-23-19(27)8-14/h7-11,14H,5-6,12-13H2,1-4H3,(H2,25,27)(H2,26,28);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,23,25)(H2,24,26);6-10H,4-5,11-12H2,1-3H3,(H2,23,25)(H2,24,26);3,5,7-9,11H,4,6,10,12H2,1-2H3,(H2,22,24)(H2,23,25)(H,26,27);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,22,24)(H,23,27).
What are the key properties of 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?
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 has a molecular weight of 1983.47 g/mol, XLogP of 13.49, 23 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167531804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).