3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate

C97H87Cl3N32O8 — CID 162259921

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cc1ccn(-c2nc(N)c(C(=O)NCN3CCOCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)c(C(=O)Nc3ccc(C#N)cc3)nc2-c2ccc3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NCC3CCCC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C26H23ClN8O3.C25H24ClN7O2.C25H18N8O.C21H22ClN9O2/c1-3-38-26(37)15-6-4-14(5-7-15)12-29-25(36)23-24(28)32-22(19-8-9-35(2)34-19)21(31-23)16-10-17-13-30-33-20(17)18(27)11-16;1-33-9-7-19(32-33)22-21(16-11-15-5-3-8-28-20(15)18(26)12-16)30-23(24(27)31-22)25(35)29-13-14-4-2-6-17(34)10-14;1-15-10-12-33(32-15)24-21(18-6-9-20-17(13-18)3-2-11-28-20)30-22(23(27)31-24)25(34)29-19-7-4-16(14-26)5-8-19;1-12-2-3-31(29-12)20-17(13-8-14-10-25-28-16(14)15(22)9-13)26-18(19(23)27-20)21(32)24-11-30-4-6-33-7-5-30/h4-11,13H,3,12H2,1-2H3,(H2,28,32)(H,29,36)(H,30,33);3,5,7-9,11-12,14H,2,4,6,10,13H2,1H3,(H2,27,31)(H,29,35);2-13H,1H3,(H2,27,31)(H,29,34);2-3,8-10H,4-7,11H2,1H3,(H2,23,27)(H,24,32)(H,25,28)
InChIKeyZZCICOLTPSOABE-UHFFFAOYSA-N
MW1935.34 g/mol
LogP13.24
Rot. Bonds21

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate (PubChem CID 162259921) has the molecular formula C97H87Cl3N32O8 and a molecular weight of 1935.34 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate
PubChem CID162259921
Molecular FormulaC97H87Cl3N32O8
Molecular Weight1935.34 g/mol
Exact Mass1932.65
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cc1ccn(-c2nc(N)c(C(=O)NCN3CCOCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)c(C(=O)Nc3ccc(C#N)cc3)nc2-c2ccc3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NCC3CCCC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C26H23ClN8O3.C25H24ClN7O2.C25H18N8O.C21H22ClN9O2/c1-3-38-26(37)15-6-4-14(5-7-15)12-29-25(36)23-24(28)32-22(19-8-9-35(2)34-19)21(31-23)16-10-17-13-30-33-20(17)18(27)11-16;1-33-9-7-19(32-33)22-21(16-11-15-5-3-8-28-20(15)18(26)12-16)30-23(24(27)31-22)25(35)29-13-14-4-2-6-17(34)10-14;1-15-10-12-33(32-15)24-21(18-6-9-20-17(13-18)3-2-11-28-20)30-22(23(27)31-24)25(34)29-19-7-4-16(14-26)5-8-19;1-12-2-3-31(29-12)20-17(13-8-14-10-25-28-16(14)15(22)9-13)26-18(19(23)27-20)21(32)24-11-30-4-6-33-7-5-30/h4-11,13H,3,12H2,1-2H3,(H2,28,32)(H,29,36)(H,30,33);3,5,7-9,11-12,14H,2,4,6,10,13H2,1H3,(H2,27,31)(H,29,35);2-13H,1H3,(H2,27,31)(H,29,34);2-3,8-10H,4-7,11H2,1H3,(H2,23,27)(H,24,32)(H,25,28)
InChIKeyZZCICOLTPSOABE-UHFFFAOYSA-N
XLogP13.24
TPSA557.65 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.34
LogP ≤ 513.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate (CID 162259921) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cc1ccn(-c2nc(N)c(C(=O)NCN3CCOCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)c(C(=O)Nc3ccc(C#N)cc3)nc2-c2ccc3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NCC3CCCC(=O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate?
The InChIKey is ZZCICOLTPSOABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN8O3.C25H24ClN7O2.C25H18N8O.C21H22ClN9O2/c1-3-38-26(37)15-6-4-14(5-7-15)12-29-25(36)23-24(28)32-22(19-8-9-35(2)34-19)21(31-23)16-10-17-13-30-33-20(17)18(27)11-16;1-33-9-7-19(32-33)22-21(16-11-15-5-3-8-28-20(15)18(26)12-16)30-23(24(27)31-22)25(35)29-13-14-4-2-6-17(34)10-14;1-15-10-12-33(32-15)24-21(18-6-9-20-17(13-18)3-2-11-28-20)30-22(23(27)31-24)25(34)29-19-7-4-16(14-26)5-8-19;1-12-2-3-31(29-12)20-17(13-8-14-10-25-28-16(14)15(22)9-13)26-18(19(23)27-20)21(32)24-11-30-4-6-33-7-5-30/h4-11,13H,3,12H2,1-2H3,(H2,28,32)(H,29,36)(H,30,33);3,5,7-9,11-12,14H,2,4,6,10,13H2,1H3,(H2,27,31)(H,29,35);2-13H,1H3,(H2,27,31)(H,29,34);2-3,8-10H,4-7,11H2,1H3,(H2,23,27)(H,24,32)(H,25,28).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate has a molecular weight of 1935.34 g/mol, XLogP of 13.24, 21 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)-N-(morpholin-4-ylmethyl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-[(3-oxocyclohexyl)methyl]pyrazine-2-carboxamide;3-amino-N-(4-cyanophenyl)-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carboxamide;ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate is sourced from PubChem (CID 162259921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).