1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea

C117H83Cl5N36O7S2 — CID 160762912

IUPAC1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCCS(=O)(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.Cc1ncc(CNC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)cn1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1cccnc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)C1CC1
InChIInChI=1S/C26H18ClN7O.C25H18ClN9O.C25H17ClN8O.C21H15ClN6O2S.C20H15ClN6O2S/c27-20-12-18(11-19-15-30-34-22(19)20)24-23(17-9-5-2-6-10-17)32-25(21(13-28)31-24)33-26(35)29-14-16-7-3-1-4-8-16;1-14-28-10-15(11-29-14)12-30-25(36)34-24-20(9-27)32-23(22(33-24)16-5-3-2-4-6-16)17-7-18-13-31-35-21(18)19(26)8-17;26-19-10-17(9-18-14-30-34-21(18)19)23-22(16-6-2-1-3-7-16)32-24(20(11-27)31-23)33-25(35)29-13-15-5-4-8-28-12-15;22-16-9-13(8-14-11-24-27-18(14)16)20-19(12-4-2-1-3-5-12)26-21(17(10-23)25-20)28-31(29,30)15-6-7-15;1-2-30(28,29)27-20-16(10-22)24-19(18(25-20)12-6-4-3-5-7-12)13-8-14-11-23-26-17(14)15(21)9-13/h1-12,15H,14H2,(H,30,34)(H2,29,32,33,35);2-8,10-11,13H,12H2,1H3,(H,31,35)(H2,30,33,34,36);1-10,12,14H,13H2,(H,30,34)(H2,29,32,33,35);1-5,8-9,11,15H,6-7H2,(H,24,27)(H,26,28);3-9,11H,2H2,1H3,(H,23,26)(H,25,27)
InChIKeyRYHPCGREEVBYRN-UHFFFAOYSA-N
MW2346.59 g/mol
LogP23.18
Rot. Bonds25

About 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea

1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 160762912) has the molecular formula C117H83Cl5N36O7S2 and a molecular weight of 2346.59 g/mol. Its IUPAC name is 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID160762912
Molecular FormulaC117H83Cl5N36O7S2
Molecular Weight2346.59 g/mol
Exact Mass2342.51
IUPAC Name1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCCS(=O)(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.Cc1ncc(CNC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)cn1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1cccnc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)C1CC1
InChIInChI=1S/C26H18ClN7O.C25H18ClN9O.C25H17ClN8O.C21H15ClN6O2S.C20H15ClN6O2S/c27-20-12-18(11-19-15-30-34-22(19)20)24-23(17-9-5-2-6-10-17)32-25(21(13-28)31-24)33-26(35)29-14-16-7-3-1-4-8-16;1-14-28-10-15(11-29-14)12-30-25(36)34-24-20(9-27)32-23(22(33-24)16-5-3-2-4-6-16)17-7-18-13-31-35-21(18)19(26)8-17;26-19-10-17(9-18-14-30-34-21(18)19)23-22(16-6-2-1-3-7-16)32-24(20(11-27)31-23)33-25(35)29-13-15-5-4-8-28-12-15;22-16-9-13(8-14-11-24-27-18(14)16)20-19(12-4-2-1-3-5-12)26-21(17(10-23)25-20)28-31(29,30)15-6-7-15;1-2-30(28,29)27-20-16(10-22)24-19(18(25-20)12-6-4-3-5-7-12)13-8-14-11-23-26-17(14)15(21)9-13/h1-12,15H,14H2,(H,30,34)(H2,29,32,33,35);2-8,10-11,13H,12H2,1H3,(H,31,35)(H2,30,33,34,36);1-10,12,14H,13H2,(H,30,34)(H2,29,32,33,35);1-5,8-9,11,15H,6-7H2,(H,24,27)(H,26,28);3-9,11H,2H2,1H3,(H,23,26)(H,25,27)
InChIKeyRYHPCGREEVBYRN-UHFFFAOYSA-N
XLogP23.18
TPSA645.65 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002346.59
LogP ≤ 523.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 157156330
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[2-(diethylamino)ethyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide
CID 157312784
N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-cyclopentylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-(1-methylpyrazol-3-yl)methanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-pyridin-3-ylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-pyrimidin-5-ylmethanesulfonamide
CID 157317047
N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]cyclopropanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]methanesulfonamide;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 157453899
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(cyclohexylmethyl)urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopropylurea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea
CID 157542824
3-[[5-[7-chloro-3-[3-[3-(7-chloro-1H-indazol-5-yl)-5-cyano-6-(2-pyridin-3-ylethylsulfonylamino)pyrazin-2-yl]phenyl]-1H-indazol-5-yl]-3-cyano-6-phenylpyrazin-2-yl]amino]-N-methylpropanamide
CID 157565165
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4,5-dimethylpyridazin-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5,6-dimethylpyridazin-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4,5-dimethylpyrimidin-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(6-methylpyrazin-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylpyridazin-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-methyl-1H-indazol-5-yl)-5-(5-methylpyridazin-3-yl)pyrazine-2-carbonitrile
CID 157627443
[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanecarboxamide;ethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 157783907
2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]ethanesulfonamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyrimidin-5-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 157802738
6-(7-chloro-1H-indazol-5-yl)-3-[2-(3-methyl-1,3-oxazinan-6-yl)ethylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyrimidin-4-ylethylamino)pyrazine-2-carbonitrile
CID 157888094
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-methyl-1,2,4-triazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-methyltriazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2,4-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile
CID 157929627
N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158252177

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea (CID 160762912) is 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea is CCS(=O)(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.Cc1ncc(CNC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)cn1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1ccccc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NCc1cccnc1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)C1CC1.
What is the InChIKey of 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is RYHPCGREEVBYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN7O.C25H18ClN9O.C25H17ClN8O.C21H15ClN6O2S.C20H15ClN6O2S/c27-20-12-18(11-19-15-30-34-22(19)20)24-23(17-9-5-2-6-10-17)32-25(21(13-28)31-24)33-26(35)29-14-16-7-3-1-4-8-16;1-14-28-10-15(11-29-14)12-30-25(36)34-24-20(9-27)32-23(22(33-24)16-5-3-2-4-6-16)17-7-18-13-31-35-21(18)19(26)8-17;26-19-10-17(9-18-14-30-34-21(18)19)23-22(16-6-2-1-3-7-16)32-24(20(11-27)31-23)33-25(35)29-13-15-5-4-8-28-12-15;22-16-9-13(8-14-11-24-27-18(14)16)20-19(12-4-2-1-3-5-12)26-21(17(10-23)25-20)28-31(29,30)15-6-7-15;1-2-30(28,29)27-20-16(10-22)24-19(18(25-20)12-6-4-3-5-7-12)13-8-14-11-23-26-17(14)15(21)9-13/h1-12,15H,14H2,(H,30,34)(H2,29,32,33,35);2-8,10-11,13H,12H2,1H3,(H,31,35)(H2,30,33,34,36);1-10,12,14H,13H2,(H,30,34)(H2,29,32,33,35);1-5,8-9,11,15H,6-7H2,(H,24,27)(H,26,28);3-9,11H,2H2,1H3,(H,23,26)(H,25,27).
What are the key properties of 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea?
1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 2346.59 g/mol, XLogP of 23.18, 25 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 160762912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).