3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine

C64H73F3N18O3 — CID 167701808

About 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine

3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine (PubChem CID 167701808) has the molecular formula C64H73F3N18O3 and a molecular weight of 1199.40 g/mol. Its IUPAC name is 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
• PubChem CID: 167701808
• Molecular Formula: C64H73F3N18O3
• Molecular Weight: 1199.40 g/mol
• Exact Mass: 1198.61
• IUPAC Name: 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
• SMILES: CN1CCc2c(cc(-c3cnc(N)c(OCc4ccnc(N)c4)n3)cc2C(F)(F)F)C1.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)C)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4CC4)c3)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C22H26N6O.C21H21F3N6O.C21H26N6O/c1-14-7-16(8-17-12-27(2)6-5-19(14)17)20-10-24-21(23)22(26-20)29-18-9-25-28(13-18)11-15-3-4-15;1-30-5-3-15-14(10-30)7-13(8-16(15)21(22,23)24)17-9-28-19(26)20(29-17)31-11-12-2-4-27-18(25)6-12;1-13(2)27-12-17(9-24-27)28-21-20(22)23-10-19(25-21)15-7-14(3)18-5-6-26(4)11-16(18)8-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,23,24);2,4,6-9H,3,5,10-11H2,1H3,(H2,25,27)(H2,26,28);7-10,12-13H,5-6,11H2,1-4H3,(H2,22,23)
• InChIKey: YMRHUHCJTRFVPW-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 267.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.40
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

The IUPAC name of 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine (CID 167701808) is 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine.

What is the SMILES notation for 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

The canonical SMILES for 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine is CN1CCc2c(cc(-c3cnc(N)c(OCc4ccnc(N)c4)n3)cc2C(F)(F)F)C1.Cc1cc(-c2cnc(N)c(Oc3cnn(C(C)C)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(CC4CC4)c3)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

The InChIKey is YMRHUHCJTRFVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.C21H21F3N6O.C21H26N6O/c1-14-7-16(8-17-12-27(2)6-5-19(14)17)20-10-24-21(23)22(26-20)29-18-9-25-28(13-18)11-15-3-4-15;1-30-5-3-15-14(10-30)7-13(8-16(15)21(22,23)24)17-9-28-19(26)20(29-17)31-11-12-2-4-27-18(25)6-12;1-13(2)27-12-17(9-24-27)28-21-20(22)23-10-19(25-21)15-7-14(3)18-5-6-26(4)11-16(18)8-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,23,24);2,4,6-9H,3,5,10-11H2,1H3,(H2,25,27)(H2,26,28);7-10,12-13H,5-6,11H2,1-4H3,(H2,22,23).

What are the key properties of 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine?

3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine has a molecular weight of 1199.40 g/mol, XLogP of 10.30, 13 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-amino-4-pyridinyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazin-2-amine;3-[1-(cyclopropylmethyl)pyrazol-4-yl]oxy-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-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine is sourced from PubChem (CID 167701808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).