3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C95H116N24O7 — CID 167542101

IUPAC3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCCOc1c(N)ncc(C)c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OC(C)c3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC3CCOCC3)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1C(C)Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N
InChIInChI=1S/C26H32N6O3.C24H30N6O2.C23H28N6O.C22H26N6O/c1-16-11-18(12-19-14-32(2)8-4-21(16)19)22-13-30-25(28)26(31-22)34-15-17-3-7-29-24(27)23(17)35-20-5-9-33-10-6-20;1-5-31-21-19(15(3)10-27-22(21)25)13-32-24-23(26)28-11-20(29-24)16-8-14(2)18-6-7-30(4)12-17(18)9-16;1-13-7-16(8-17-12-29(4)6-5-18(13)17)20-11-27-22(25)23(28-20)30-15(3)19-9-21(24)26-10-14(19)2;1-13-8-16(9-17-12-28(3)7-5-18(13)17)19-11-26-21(24)22(27-19)29-14(2)15-4-6-25-20(23)10-15/h3,7,11-13,20H,4-6,8-10,14-15H2,1-2H3,(H2,27,29)(H2,28,30);8-11H,5-7,12-13H2,1-4H3,(H2,25,27)(H2,26,28);7-11,15H,5-6,12H2,1-4H3,(H2,24,26)(H2,25,27);4,6,8-11,14H,5,7,12H2,1-3H3,(H2,23,25)(H2,24,26)
InChIKeyBIDHVIFWIUYVIO-UHFFFAOYSA-N
MW1706.13 g/mol
LogP13.01
Rot. Bonds20

About 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167542101) has the molecular formula C95H116N24O7 and a molecular weight of 1706.13 g/mol. Its IUPAC name is 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
PubChem CID167542101
Molecular FormulaC95H116N24O7
Molecular Weight1706.13 g/mol
Exact Mass1704.95
IUPAC Name3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCCOc1c(N)ncc(C)c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OC(C)c3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC3CCOCC3)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1C(C)Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N
InChIInChI=1S/C26H32N6O3.C24H30N6O2.C23H28N6O.C22H26N6O/c1-16-11-18(12-19-14-32(2)8-4-21(16)19)22-13-30-25(28)26(31-22)34-15-17-3-7-29-24(27)23(17)35-20-5-9-33-10-6-20;1-5-31-21-19(15(3)10-27-22(21)25)13-32-24-23(26)28-11-20(29-24)16-8-14(2)18-6-7-30(4)12-17(18)9-16;1-13-7-16(8-17-12-29(4)6-5-18(13)17)20-11-27-22(25)23(28-20)30-15(3)19-9-21(24)26-10-14(19)2;1-13-8-16(9-17-12-28(3)7-5-18(13)17)19-11-26-21(24)22(27-19)29-14(2)15-4-6-25-20(23)10-15/h3,7,11-13,20H,4-6,8-10,14-15H2,1-2H3,(H2,27,29)(H2,28,30);8-11H,5-7,12-13H2,1-4H3,(H2,25,27)(H2,26,28);7-11,15H,5-6,12H2,1-4H3,(H2,24,26)(H2,25,27);4,6,8-11,14H,5,7,12H2,1-3H3,(H2,23,25)(H2,24,26)
InChIKeyBIDHVIFWIUYVIO-UHFFFAOYSA-N
XLogP13.01
TPSA440.41 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001706.13
LogP ≤ 513.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167542101) is 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is CCOc1c(N)ncc(C)c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OC(C)c3ccnc(N)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC3CCOCC3)n2)cc2c1CCN(C)C2.Cc1cnc(N)cc1C(C)Oc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.
What is the InChIKey of 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The InChIKey is BIDHVIFWIUYVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3.C24H30N6O2.C23H28N6O.C22H26N6O/c1-16-11-18(12-19-14-32(2)8-4-21(16)19)22-13-30-25(28)26(31-22)34-15-17-3-7-29-24(27)23(17)35-20-5-9-33-10-6-20;1-5-31-21-19(15(3)10-27-22(21)25)13-32-24-23(26)28-11-20(29-24)16-8-14(2)18-6-7-30(4)12-17(18)9-16;1-13-7-16(8-17-12-29(4)6-5-18(13)17)20-11-27-22(25)23(28-20)30-15(3)19-9-21(24)26-10-14(19)2;1-13-8-16(9-17-12-28(3)7-5-18(13)17)19-11-26-21(24)22(27-19)29-14(2)15-4-6-25-20(23)10-15/h3,7,11-13,20H,4-6,8-10,14-15H2,1-2H3,(H2,27,29)(H2,28,30);8-11H,5-7,12-13H2,1-4H3,(H2,25,27)(H2,26,28);7-11,15H,5-6,12H2,1-4H3,(H2,24,26)(H2,25,27);4,6,8-11,14H,5,7,12H2,1-3H3,(H2,23,25)(H2,24,26).
What are the key properties of 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 1706.13 g/mol, XLogP of 13.01, 20 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-ethoxy-5-methyl-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-5-methyl-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-amino-3-(oxan-4-yloxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[1-(2-amino-4-pyridinyl)ethoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167542101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).