3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine

C122H136F3N29O9 — CID 167692010

About 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine

3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine (PubChem CID 167692010) has the molecular formula C122H136F3N29O9 and a molecular weight of 2209.62 g/mol. Its IUPAC name is 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
• PubChem CID: 167692010
• Molecular Formula: C122H136F3N29O9
• Molecular Weight: 2209.62 g/mol
• Exact Mass: 2208.10
• IUPAC Name: 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine
• SMILES: CN1CCc2c(cc(-c3cnc(N)c(OCc4ccncc4)n3)cc2C(F)(F)F)C1.COc1cnc2[nH]ccc2c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OCC3CC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OCc3ccccc3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C28H30N6O2.C25H30N6O2.C24H26N6O2.C24H30N6O2.C21H20F3N5O/c1-18-12-21(13-22-15-34(2)11-9-23(18)22)24-14-32-27(30)28(33-24)36-17-20-8-10-31-26(29)25(20)35-16-19-6-4-3-5-7-19;1-15-9-18(10-19-12-31(2)8-6-20(15)19)21-11-29-24(27)25(30-21)33-14-17-5-7-28-23(26)22(17)32-13-16-3-4-16;1-14-8-15(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;1-29-7-4-16-15(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/h3-8,10,12-14H,9,11,15-17H2,1-2H3,(H2,29,31)(H2,30,32);5,7,9-11,16H,3-4,6,8,12-14H2,1-2H3,(H2,26,28)(H2,27,29);4,6,8-11H,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);2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,25,27)
• InChIKey: XBZXMGCGYBAWQE-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 516.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2209.62
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-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-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine (CID 167692010) is 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-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-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-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-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-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.COc1cnc2[nH]ccc2c1COc1nc(-c2cc(C)c3c(c2)CN(C)CC3)cnc1N.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OC(C)C)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OCC3CC3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(N)c3OCc3ccccc3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?

The InChIKey is XBZXMGCGYBAWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2.C25H30N6O2.C24H26N6O2.C24H30N6O2.C21H20F3N5O/c1-18-12-21(13-22-15-34(2)11-9-23(18)22)24-14-32-27(30)28(33-24)36-17-20-8-10-31-26(29)25(20)35-16-19-6-4-3-5-7-19;1-15-9-18(10-19-12-31(2)8-6-20(15)19)21-11-29-24(27)25(30-21)33-14-17-5-7-28-23(26)22(17)32-13-16-3-4-16;1-14-8-15(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;1-29-7-4-16-15(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/h3-8,10,12-14H,9,11,15-17H2,1-2H3,(H2,29,31)(H2,30,32);5,7,9-11,16H,3-4,6,8,12-14H2,1-2H3,(H2,26,28)(H2,27,29);4,6,8-11H,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);2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,25,27).

What are the key properties of 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine?

3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine has a molecular weight of 2209.62 g/mol, XLogP of 18.08, 29 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-amino-3-(cyclopropylmethoxy)-4-pyridinyl]methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[(2-amino-3-phenylmethoxy-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)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;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-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(pyridin-4-ylmethoxy)pyrazin-2-amine is sourced from PubChem (CID 167692010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).