1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C152H170Cl2FN43O10S — CID 167680849

IUPAC1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCCOc1ccc(C(C)NC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)c(Cl)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(F)cc4Cl)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CN(S(=O)(=O)c5ccccc5)C4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C29H32ClN7O2.C27H29N7O3S.C26H25ClFN7O.C25H32N8O2.C23H27N7O.C22H25N7O/c1-5-39-22-6-7-24(25(30)12-22)18(3)34-29(38)21-13-33-37(16-21)28-27(31)32-14-26(35-28)19-10-17(2)23-8-9-36(4)15-20(23)11-19;1-18-10-19(11-20-14-32(2)9-8-24(18)20)25-13-29-26(28)27(31-25)37-22-12-30-34(17-22)21-15-33(16-21)38(35,36)23-6-4-3-5-7-23;1-15-7-17(8-18-13-34(2)6-5-21(15)18)23-12-30-24(29)25(33-23)35-14-19(11-32-35)26(36)31-10-16-3-4-20(28)9-22(16)27;1-17-11-18(12-19-15-31(2)5-3-21(17)19)22-14-28-23(26)24(30-22)33-16-20(13-29-33)25(34)27-4-6-32-7-9-35-10-8-32;1-14-7-16(8-17-12-29(2)6-5-19(14)17)20-11-25-21(24)22(28-20)30-13-18(10-27-30)23(31)26-9-15-3-4-15;1-13-7-14(8-15-11-28(2)6-5-18(13)15)19-10-24-20(23)21(27-19)29-12-16(9-25-29)22(30)26-17-3-4-17/h6-7,10-14,16,18H,5,8-9,15H2,1-4H3,(H2,31,32)(H,34,38);3-7,10-13,17,21H,8-9,14-16H2,1-2H3,(H2,28,29);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,29,30)(H,31,36);11-14,16H,3-10,15H2,1-2H3,(H2,26,28)(H,27,34);7-8,10-11,13,15H,3-6,9,12H2,1-2H3,(H2,24,25)(H,26,31);7-10,12,17H,3-6,11H2,1-2H3,(H2,23,24)(H,26,30)
InChIKeyVNDQUOXKPHJDMX-UHFFFAOYSA-N
MW2881.29 g/mol
LogP17.66
Rot. Bonds33

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 167680849) has the molecular formula C152H170Cl2FN43O10S and a molecular weight of 2881.29 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

Compound Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
PubChem CID167680849
Molecular FormulaC152H170Cl2FN43O10S
Molecular Weight2881.29 g/mol
Exact Mass2878.32
IUPAC Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCCOc1ccc(C(C)NC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)c(Cl)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(F)cc4Cl)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CN(S(=O)(=O)c5ccccc5)C4)c3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C29H32ClN7O2.C27H29N7O3S.C26H25ClFN7O.C25H32N8O2.C23H27N7O.C22H25N7O/c1-5-39-22-6-7-24(25(30)12-22)18(3)34-29(38)21-13-33-37(16-21)28-27(31)32-14-26(35-28)19-10-17(2)23-8-9-36(4)15-20(23)11-19;1-18-10-19(11-20-14-32(2)9-8-24(18)20)25-13-29-26(28)27(31-25)37-22-12-30-34(17-22)21-15-33(16-21)38(35,36)23-6-4-3-5-7-23;1-15-7-17(8-18-13-34(2)6-5-21(15)18)23-12-30-24(29)25(33-23)35-14-19(11-32-35)26(36)31-10-16-3-4-20(28)9-22(16)27;1-17-11-18(12-19-15-31(2)5-3-21(17)19)22-14-28-23(26)24(30-22)33-16-20(13-29-33)25(34)27-4-6-32-7-9-35-10-8-32;1-14-7-16(8-17-12-29(2)6-5-19(14)17)20-11-25-21(24)22(28-20)30-13-18(10-27-30)23(31)26-9-15-3-4-15;1-13-7-14(8-15-11-28(2)6-5-18(13)15)19-10-24-20(23)21(27-19)29-12-16(9-25-29)22(30)26-17-3-4-17/h6-7,10-14,16,18H,5,8-9,15H2,1-4H3,(H2,31,32)(H,34,38);3-7,10-13,17,21H,8-9,14-16H2,1-2H3,(H2,28,29);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,29,30)(H,31,36);11-14,16H,3-10,15H2,1-2H3,(H2,26,28)(H,27,34);7-8,10-11,13,15H,3-6,9,12H2,1-2H3,(H2,24,25)(H,26,31);7-10,12,17H,3-6,11H2,1-2H3,(H2,23,24)(H,26,30)
InChIKeyVNDQUOXKPHJDMX-UHFFFAOYSA-N
XLogP17.66
TPSA650.97 Ų
H-Bond Donors11
H-Bond Acceptors47
Rotatable Bonds33
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002881.29
LogP ≤ 517.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1047

Analyze 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

bis(1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-ethoxyphenyl)methyl]pyrazole-4-carboxamide);1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-chloro-2-fluorophenyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-ethoxyethyl)pyrazole-4-carboxamide
CID 167603139
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 167616599

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 167680849) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.
What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is CCOc1ccc(C(C)NC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)c(Cl)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCC4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCCN4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(F)cc4Cl)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(Oc3cnn(C4CN(S(=O)(=O)c5ccccc5)C4)c3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The InChIKey is VNDQUOXKPHJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN7O2.C27H29N7O3S.C26H25ClFN7O.C25H32N8O2.C23H27N7O.C22H25N7O/c1-5-39-22-6-7-24(25(30)12-22)18(3)34-29(38)21-13-33-37(16-21)28-27(31)32-14-26(35-28)19-10-17(2)23-8-9-36(4)15-20(23)11-19;1-18-10-19(11-20-14-32(2)9-8-24(18)20)25-13-29-26(28)27(31-25)37-22-12-30-34(17-22)21-15-33(16-21)38(35,36)23-6-4-3-5-7-23;1-15-7-17(8-18-13-34(2)6-5-21(15)18)23-12-30-24(29)25(33-23)35-14-19(11-32-35)26(36)31-10-16-3-4-20(28)9-22(16)27;1-17-11-18(12-19-15-31(2)5-3-21(17)19)22-14-28-23(26)24(30-22)33-16-20(13-29-33)25(34)27-4-6-32-7-9-35-10-8-32;1-14-7-16(8-17-12-29(2)6-5-19(14)17)20-11-25-21(24)22(28-20)30-13-18(10-27-30)23(31)26-9-15-3-4-15;1-13-7-14(8-15-11-28(2)6-5-18(13)15)19-10-24-20(23)21(27-19)29-12-16(9-25-29)22(30)26-17-3-4-17/h6-7,10-14,16,18H,5,8-9,15H2,1-4H3,(H2,31,32)(H,34,38);3-7,10-13,17,21H,8-9,14-16H2,1-2H3,(H2,28,29);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,29,30)(H,31,36);11-14,16H,3-10,15H2,1-2H3,(H2,26,28)(H,27,34);7-8,10-11,13,15H,3-6,9,12H2,1-2H3,(H2,24,25)(H,26,31);7-10,12,17H,3-6,11H2,1-2H3,(H2,23,24)(H,26,30).
What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 2881.29 g/mol, XLogP of 17.66, 33 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(2-chloro-4-ethoxyphenyl)ethyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(cyclopropylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-cyclopropylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide;3-[1-[1-(benzenesulfonyl)azetidin-3-yl]pyrazol-4-yl]oxy-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 167680849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).