1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

C111H102Cl5N37O8 — CID 159621736

IUPAC1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
SMILESCCC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCNC(=O)N(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NC(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NC(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C27H21ClN6O4.C22H23ClN8O.C21H19ClN8O.C21H21ClN8O.C20H18ClN7O/c1-34-11-9-20(33-34)23-22(18-12-17-4-3-10-30-21(17)19(28)13-18)31-24(25(29)32-23)27(36)38-14-15-5-7-16(8-6-15)26(35)37-2;1-22(2,3)29-21(32)28-20-19(24)26-18(15-7-9-31(4)30-15)17(27-20)13-10-12-6-5-8-25-16(12)14(23)11-13;1-30-8-6-15(29-30)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)27-20(19(23)26-18)28-21(31)25-13-4-5-13;1-4-24-21(31)30(3)20-19(23)26-18(15-7-9-29(2)28-15)17(27-20)13-10-12-6-5-8-25-16(12)14(22)11-13;1-3-15(29)24-20-19(22)25-18(14-6-8-28(2)27-14)17(26-20)12-9-11-5-4-7-23-16(11)13(21)10-12/h3-13H,14H2,1-2H3,(H2,29,32);5-11H,1-4H3,(H2,24,26)(H2,27,28,29,32);2-3,6-10,13H,4-5H2,1H3,(H2,23,26)(H2,25,27,28,31);5-11H,4H2,1-3H3,(H2,23,26)(H,24,31);4-10H,3H2,1-2H3,(H2,22,25)(H,24,26,29)
InChIKeyMNZALQISPNLGGY-UHFFFAOYSA-N
MW2259.55 g/mol
LogP19.50
Rot. Bonds21

About 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (PubChem CID 159621736) has the molecular formula C111H102Cl5N37O8 and a molecular weight of 2259.55 g/mol. Its IUPAC name is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
PubChem CID159621736
Molecular FormulaC111H102Cl5N37O8
Molecular Weight2259.55 g/mol
Exact Mass2255.72
IUPAC Name1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
SMILESCCC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCNC(=O)N(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NC(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NC(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C27H21ClN6O4.C22H23ClN8O.C21H19ClN8O.C21H21ClN8O.C20H18ClN7O/c1-34-11-9-20(33-34)23-22(18-12-17-4-3-10-30-21(17)19(28)13-18)31-24(25(29)32-23)27(36)38-14-15-5-7-16(8-6-15)26(35)37-2;1-22(2,3)29-21(32)28-20-19(24)26-18(15-7-9-31(4)30-15)17(27-20)13-10-12-6-5-8-25-16(12)14(23)11-13;1-30-8-6-15(29-30)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)27-20(19(23)26-18)28-21(31)25-13-4-5-13;1-4-24-21(31)30(3)20-19(23)26-18(15-7-9-29(2)28-15)17(27-20)13-10-12-6-5-8-25-16(12)14(22)11-13;1-3-15(29)24-20-19(22)25-18(14-6-8-28(2)27-14)17(26-20)12-9-11-5-4-7-23-16(11)13(21)10-12/h3-13H,14H2,1-2H3,(H2,29,32);5-11H,1-4H3,(H2,24,26)(H2,27,28,29,32);2-3,6-10,13H,4-5H2,1H3,(H2,23,26)(H2,25,27,28,31);5-11H,4H2,1-3H3,(H2,23,26)(H,24,31);4-10H,3H2,1-2H3,(H2,22,25)(H,24,26,29)
InChIKeyMNZALQISPNLGGY-UHFFFAOYSA-N
XLogP19.50
TPSA608.85 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds21
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002259.55
LogP ≤ 519.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-[3-[[6-[1-[[8-chloro-6-[6-cyano-5-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]amino]-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinolin-3-yl]methyl]pyrazol-3-yl]-5-(8-chloroquinolin-6-yl)-3-cyanopyrazin-2-yl]amino]propanoylamino]benzoate
CID 156450041
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-oxo-1-pyridinyl)pyrazin-2-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazin-2-yl]-4-(methylamino)benzamide;ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate;3-fluoro-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 157353630
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-methylquinolin-6-yl)methyl]indazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate;methyl 1H-indazole-3-carboxylate
CID 157634615
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-imidazol-1-ylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(4-methylpiperazin-1-yl)acetamide;ethyl 6-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]pyridine-3-carboxylate;methyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]benzoate
CID 157637104
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylate
CID 157800392
3-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-(4-cyanophenyl)propanamide;3-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-methylpropanamide;3-[[5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-(4-methylphenyl)propanamide;methyl 4-[[2-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]acetyl]amino]benzoate;methyl 4-[3-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]propanoylamino]benzoate
CID 157972509
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-(1-methyl-2-oxopiperidin-4-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(1-methylpyrrolidin-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide
CID 157990433
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylic acid;ethyl 6-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]benzoate
CID 158090226
3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid;ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;methyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 158560455
(4-Ethoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpiperidin-4-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 158874590
3-amino-6-(8-chloroquinolin-6-yl)-N-[(1-methylpiperidin-4-yl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide;ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
CID 159409120
3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[[3-(dimethylamino)phenyl]methyl]quinoxaline-2-carboxamide;3-amino-N-[(3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(4-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-(1-phenylethyl)quinoxaline-2-carboxamide;3-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-methyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
CID 159685556

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
The IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (CID 159621736) is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.
What is the SMILES notation for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
The canonical SMILES for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is CCC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCNC(=O)N(C)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NC(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NC(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
The InChIKey is MNZALQISPNLGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN6O4.C22H23ClN8O.C21H19ClN8O.C21H21ClN8O.C20H18ClN7O/c1-34-11-9-20(33-34)23-22(18-12-17-4-3-10-30-21(17)19(28)13-18)31-24(25(29)32-23)27(36)38-14-15-5-7-16(8-6-15)26(35)37-2;1-22(2,3)29-21(32)28-20-19(24)26-18(15-7-9-31(4)30-15)17(27-20)13-10-12-6-5-8-25-16(12)14(23)11-13;1-30-8-6-15(29-30)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)27-20(19(23)26-18)28-21(31)25-13-4-5-13;1-4-24-21(31)30(3)20-19(23)26-18(15-7-9-29(2)28-15)17(27-20)13-10-12-6-5-8-25-16(12)14(22)11-13;1-3-15(29)24-20-19(22)25-18(14-6-8-28(2)27-14)17(26-20)12-9-11-5-4-7-23-16(11)13(21)10-12/h3-13H,14H2,1-2H3,(H2,29,32);5-11H,1-4H3,(H2,24,26)(H2,27,28,29,32);2-3,6-10,13H,4-5H2,1H3,(H2,23,26)(H2,25,27,28,31);5-11H,4H2,1-3H3,(H2,23,26)(H,24,31);4-10H,3H2,1-2H3,(H2,22,25)(H,24,26,29).
What are the key properties of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate has a molecular weight of 2259.55 g/mol, XLogP of 19.50, 21 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-tert-butylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-cyclopropylurea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]propanamide;(4-methoxycarbonylphenyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 159621736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).