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

C109H127N31O6 — CID 167583136

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-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
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[nH]c(=O)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3OCCN4)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H26N6O2.C22H27N7.C22H26N6O2.C21H25N7.C21H23N5O2/c1-14-9-16(10-17-12-29(2)7-4-18(14)17)19-11-27-21(24)23(28-19)31-13-15-3-5-25-22-20(15)30-8-6-26-22;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/h3,5,9-11H,4,6-8,12-13H2,1-2H3,(H2,24,27)(H,25,26);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)
InChIKeyHLHNKQAIEIOTSX-UHFFFAOYSA-N
MW1967.43 g/mol
LogP12.92
Rot. Bonds21

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-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

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 (PubChem CID 167583136) has the molecular formula C109H127N31O6 and a molecular weight of 1967.43 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-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.

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-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
PubChem CID167583136
Molecular FormulaC109H127N31O6
Molecular Weight1967.43 g/mol
Exact Mass1966.06
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-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
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[nH]c(=O)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3OCCN4)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H26N6O2.C22H27N7.C22H26N6O2.C21H25N7.C21H23N5O2/c1-14-9-16(10-17-12-29(2)7-4-18(14)17)19-11-27-21(24)23(28-19)31-13-15-3-5-25-22-20(15)30-8-6-26-22;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/h3,5,9-11H,4,6-8,12-13H2,1-2H3,(H2,24,27)(H,25,26);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)
InChIKeyHLHNKQAIEIOTSX-UHFFFAOYSA-N
XLogP12.92
TPSA511.13 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001967.43
LogP ≤ 512.92
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-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 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-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?
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-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) 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-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.
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-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?
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-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 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[nH]c(=O)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4c3OCCN4)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-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?
The InChIKey is HLHNKQAIEIOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.C22H27N7.C22H26N6O2.C21H25N7.C21H23N5O2/c1-14-9-16(10-17-12-29(2)7-4-18(14)17)19-11-27-21(24)23(28-19)31-13-15-3-5-25-22-20(15)30-8-6-26-22;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/h3,5,9-11H,4,6-8,12-13H2,1-2H3,(H2,24,27)(H,25,26);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-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?
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 has a molecular weight of 1967.43 g/mol, XLogP of 12.92, 21 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-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 is sourced from PubChem (CID 167583136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).