N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine

C96H109N23O7 — CID 167686595

IUPACN-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCNc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCOc1c(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccnc1N.Cc1cc(-c2cnc(N)c(OCc3ccncc3Oc3ccccc3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C27H27N5O2.C23H26N6O2.C23H28N6O2.C23H28N6O/c1-18-12-20(13-21-16-32(2)11-9-23(18)21)24-14-30-26(28)27(31-24)33-17-19-8-10-29-15-25(19)34-22-6-4-3-5-7-22;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30;1-4-30-20-15(5-7-26-21(20)24)13-31-23-22(25)27-11-19(28-23)16-9-14(2)18-6-8-29(3)12-17(18)10-16;1-4-25-21-10-16(5-7-26-21)14-30-23-22(24)27-12-20(28-23)17-9-15(2)19-6-8-29(3)13-18(19)11-17/h3-8,10,12-15H,9,11,16-17H2,1-2H3,(H2,28,30);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30);5,7,9-11H,4,6,8,12-13H2,1-3H3,(H2,24,26)(H2,25,27);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,24,27)(H,25,26)
InChIKeyWHRQPCNVFDUBGI-UHFFFAOYSA-N
MW1697.08 g/mol
LogP14.15
Rot. Bonds23

About N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine

N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine (PubChem CID 167686595) has the molecular formula C96H109N23O7 and a molecular weight of 1697.08 g/mol. Its IUPAC name is N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine
PubChem CID167686595
Molecular FormulaC96H109N23O7
Molecular Weight1697.08 g/mol
Exact Mass1695.89
IUPAC NameN-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCNc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCOc1c(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccnc1N.Cc1cc(-c2cnc(N)c(OCc3ccncc3Oc3ccccc3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C27H27N5O2.C23H26N6O2.C23H28N6O2.C23H28N6O/c1-18-12-20(13-21-16-32(2)11-9-23(18)21)24-14-30-26(28)27(31-24)33-17-19-8-10-29-15-25(19)34-22-6-4-3-5-7-22;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30;1-4-30-20-15(5-7-26-21(20)24)13-31-23-22(25)27-11-19(28-23)16-9-14(2)18-6-8-29(3)12-17(18)10-16;1-4-25-21-10-16(5-7-26-21)14-30-23-22(24)27-12-20(28-23)17-9-15(2)19-6-8-29(3)13-18(19)11-17/h3-8,10,12-15H,9,11,16-17H2,1-2H3,(H2,28,30);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30);5,7,9-11H,4,6,8,12-13H2,1-3H3,(H2,24,26)(H2,25,27);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,24,27)(H,25,26)
InChIKeyWHRQPCNVFDUBGI-UHFFFAOYSA-N
XLogP14.15
TPSA394.25 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.08
LogP ≤ 514.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
6-[[[(3R,6S)-6-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67365574
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123
6-((1-(2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl)-2-oxabicyclo[2.2.2]octan-4-ylamino)methyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 71152743
6-((1-(2-(6-(Dimethylamino)-7-fluoro-1,5-naphthyridin-4-yl)ethyl)-2-oxabicyclo[2.2.2]octan-4-ylamino)methyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 71152755
6-((1-(2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl)-2-oxabicyclo[2.2.2]octan-4-ylamino)methyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 71152842
6-[[[1-[2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 71152895
6-[[[1-[2-(6-ethoxy-3-fluoro-8-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152903
6-[[[1-[2-[6-(dimethylamino)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152985

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine?
The IUPAC name of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine (CID 167686595) is N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine?
The canonical SMILES for N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine is CC(=O)Nc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCNc1cc(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccn1.CCOc1c(COc2nc(-c3cc(C)c4c(c3)CN(C)CC4)cnc2N)ccnc1N.Cc1cc(-c2cnc(N)c(OCc3ccncc3Oc3ccccc3)n2)cc2c1CCN(C)C2.
What is the InChIKey of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine?
The InChIKey is WHRQPCNVFDUBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2.C23H26N6O2.C23H28N6O2.C23H28N6O/c1-18-12-20(13-21-16-32(2)11-9-23(18)21)24-14-30-26(28)27(31-24)33-17-19-8-10-29-15-25(19)34-22-6-4-3-5-7-22;1-14-8-17(10-18-12-29(3)7-5-19(14)18)20-11-26-22(24)23(28-20)31-13-16-4-6-25-21(9-16)27-15(2)30;1-4-30-20-15(5-7-26-21(20)24)13-31-23-22(25)27-11-19(28-23)16-9-14(2)18-6-8-29(3)12-17(18)10-16;1-4-25-21-10-16(5-7-26-21)14-30-23-22(24)27-12-20(28-23)17-9-15(2)19-6-8-29(3)13-18(19)11-17/h3-8,10,12-15H,9,11,16-17H2,1-2H3,(H2,28,30);4,6,8-11H,5,7,12-13H2,1-3H3,(H2,24,26)(H,25,27,30);5,7,9-11H,4,6,8,12-13H2,1-3H3,(H2,24,26)(H2,25,27);5,7,9-12H,4,6,8,13-14H2,1-3H3,(H2,24,27)(H,25,26).
What are the key properties of N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine?
N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine has a molecular weight of 1697.08 g/mol, XLogP of 14.15, 23 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]acetamide;3-[(2-amino-3-ethoxy-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-(ethylamino)-4-pyridinyl]methoxy]pyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[(3-phenoxy-4-pyridinyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 167686595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).