3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine

C125H129ClN26O5 — CID 167617700

About 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine

3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine (PubChem CID 167617700) has the molecular formula C125H129ClN26O5 and a molecular weight of 2111.04 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine
• PubChem CID: 167617700
• Molecular Formula: C125H129ClN26O5
• Molecular Weight: 2111.04 g/mol
• Exact Mass: 2109.03
• IUPAC Name: 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine
• SMILES: CC#Cc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#CC(C)(C)C)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccncc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4ccccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3Cl)n2)cc2c1CCN(C)C2
• InChI: InChI=1S/C28H26N6O.C27H31N5O.C25H25N5O.C24H25N5O.C21H22ClN5O/c1-19-13-22(15-23-17-34(2)12-8-25(19)23)26-16-32-27(29)28(33-26)35-18-21-7-11-31-24(14-21)4-3-20-5-9-30-10-6-20;1-18-12-20(14-21-16-32(5)11-8-23(18)21)24-15-30-25(28)26(31-24)33-17-19-7-10-29-22(13-19)6-9-27(2,3)4;1-16-11-18(12-19-14-30(2)10-8-20(16)19)23-13-28-24(26)25(29-23)31-15-17-7-9-27-22-6-4-3-5-21(17)22;1-4-5-20-11-17(6-8-26-20)15-30-24-23(25)27-13-22(28-24)18-10-16(2)21-7-9-29(3)14-19(21)12-18;1-13-7-15(8-16-11-27(2)6-4-17(13)16)19-10-25-20(23)21(26-19)28-12-14-3-5-24-9-18(14)22/h5-7,9-11,13-16H,8,12,17-18H2,1-2H3,(H2,29,32);7,10,12-15H,8,11,16-17H2,1-5H3,(H2,28,30);3-7,9,11-13H,8,10,14-15H2,1-2H3,(H2,26,28);6,8,10-13H,7,9,14-15H2,1-3H3,(H2,25,27);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,23,25)
• InChIKey: LZFLCJSDPJWDAD-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 398.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.04
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine?

The IUPAC name of 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine (CID 167617700) is 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine.

What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine?

The canonical SMILES for 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine is CC#Cc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#CC(C)(C)C)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc(C#Cc4ccncc4)c3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccnc4ccccc34)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(OCc3ccncc3Cl)n2)cc2c1CCN(C)C2.

What is the InChIKey of 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine?

The InChIKey is LZFLCJSDPJWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O.C27H31N5O.C25H25N5O.C24H25N5O.C21H22ClN5O/c1-19-13-22(15-23-17-34(2)12-8-25(19)23)26-16-32-27(29)28(33-26)35-18-21-7-11-31-24(14-21)4-3-20-5-9-30-10-6-20;1-18-12-20(14-21-16-32(5)11-8-23(18)21)24-15-30-25(28)26(31-24)33-17-19-7-10-29-22(13-19)6-9-27(2,3)4;1-16-11-18(12-19-14-30(2)10-8-20(16)19)23-13-28-24(26)25(29-23)31-15-17-7-9-27-22-6-4-3-5-21(17)22;1-4-5-20-11-17(6-8-26-20)15-30-24-23(25)27-13-22(28-24)18-10-16(2)21-7-9-29(3)14-19(21)12-18;1-13-7-15(8-16-11-27(2)6-4-17(13)16)19-10-25-20(23)21(26-19)28-12-14-3-5-24-9-18(14)22/h5-7,9-11,13-16H,8,12,17-18H2,1-2H3,(H2,29,32);7,10,12-15H,8,11,16-17H2,1-5H3,(H2,28,30);3-7,9,11-13H,8,10,14-15H2,1-2H3,(H2,26,28);6,8,10-13H,7,9,14-15H2,1-3H3,(H2,25,27);3,5,7-10H,4,6,11-12H2,1-2H3,(H2,23,25).

What are the key properties of 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine?

3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine has a molecular weight of 2111.04 g/mol, XLogP of 19.35, 20 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chloro-4-pyridinyl)methoxy]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine;3-[[2-(3,3-dimethylbut-1-ynyl)-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-[(2-prop-1-ynyl-4-pyridinyl)methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[2-(2-pyridin-4-ylethynyl)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(quinolin-4-ylmethoxy)pyrazin-2-amine is sourced from PubChem (CID 167617700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).