1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate

C95H78Cl4N24O10 — CID 161243947

IUPAC1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
SMILESCCC(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCNC(=O)N(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCOC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1.COC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1
InChIInChI=1S/C27H21ClN6O4.C27H20ClN5O4.C21H20ClN7O.C20H17ClN6O/c1-2-37-26(35)16-8-9-19(30-12-16)14-38-27(36)24-25(29)33-22(15-6-4-3-5-7-15)23(32-24)17-10-18-13-31-34-21(18)20(28)11-17;1-36-26(34)17-9-7-15(8-10-17)14-37-27(35)24-25(29)32-22(16-5-3-2-4-6-16)23(31-24)18-11-19-13-30-33-21(19)20(28)12-18;1-3-24-21(30)29(2)20-19(23)26-17(12-7-5-4-6-8-12)18(27-20)13-9-14-11-25-28-16(14)15(22)10-13;1-2-15(28)24-20-19(22)25-17(11-6-4-3-5-7-11)18(26-20)12-8-13-10-23-27-16(13)14(21)9-12/h3-13H,2,14H2,1H3,(H2,29,33)(H,31,34);2-13H,14H2,1H3,(H2,29,32)(H,30,33);4-11H,3H2,1-2H3,(H2,23,26)(H,24,30)(H,25,28);3-10H,2H2,1H3,(H2,22,25)(H,23,27)(H,24,26,28)
InChIKeyVAJMDIKUOJTITK-UHFFFAOYSA-N
MW1857.64 g/mol
LogP18.28
Rot. Bonds21

About 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate

1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate (PubChem CID 161243947) has the molecular formula C95H78Cl4N24O10 and a molecular weight of 1857.64 g/mol. Its IUPAC name is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Name1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
PubChem CID161243947
Molecular FormulaC95H78Cl4N24O10
Molecular Weight1857.64 g/mol
Exact Mass1854.51
IUPAC Name1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
SMILESCCC(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCNC(=O)N(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCOC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1.COC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1
InChIInChI=1S/C27H21ClN6O4.C27H20ClN5O4.C21H20ClN7O.C20H17ClN6O/c1-2-37-26(35)16-8-9-19(30-12-16)14-38-27(36)24-25(29)33-22(15-6-4-3-5-7-15)23(32-24)17-10-18-13-31-34-21(18)20(28)11-17;1-36-26(34)17-9-7-15(8-10-17)14-37-27(35)24-25(29)32-22(16-5-3-2-4-6-16)23(31-24)18-11-19-13-30-33-21(19)20(28)12-18;1-3-24-21(30)29(2)20-19(23)26-17(12-7-5-4-6-8-12)18(27-20)13-9-14-11-25-28-16(14)15(22)10-13;1-2-15(28)24-20-19(22)25-17(11-6-4-3-5-7-11)18(26-20)12-8-13-10-23-27-16(13)14(21)9-12/h3-13H,2,14H2,1H3,(H2,29,33)(H,31,34);2-13H,14H2,1H3,(H2,29,32)(H,30,33);4-11H,3H2,1-2H3,(H2,23,26)(H,24,30)(H,25,28);3-10H,2H2,1H3,(H2,22,25)(H,23,27)(H,24,26,28)
InChIKeyVAJMDIKUOJTITK-UHFFFAOYSA-N
XLogP18.28
TPSA501.45 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001857.64
LogP ≤ 518.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate with MolForge

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Related Compounds

propan-2-yl 6-[4-[2-[6-(1H-indazol-5-ylamino)-2-[2-[(pyridazine-4-carbonylamino)methyl]-1H-indol-6-yl]pyrimidin-4-yl]-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-4-[[2-[7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]acetyl]oxymethyl]-1H-indole-2-carboxylate
CID 137387420
ethyl 6-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]pyridine-3-carboxylate
CID 137430459
ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]benzoate
CID 137430670
ethyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylimidazol-4-yl)pyrazine-2-carbonyl]amino]methyl]benzoate
CID 137431552
ethyl 6-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
CID 137431595
(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
CID 137431678
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
bis(5-(3-aminopropyl)-8-chloro-3-(methoxymethyl)-2H-pyrazolo[4,3-c]quinolin-4-one);8-chloro-5-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-[3-(dimethylamino)propyl]-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-5-(3-imidazol-1-ylpropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157332782
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
cyclopentyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopiperidin-4-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrolidin-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;oxetan-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
CID 157542101
2-(3-hydroxyazetidin-1-yl)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpiperidin-4-yl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
CID 157606611
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?
The IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate (CID 161243947) is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate.
What is the SMILES notation for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?
The canonical SMILES for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate is CCC(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCNC(=O)N(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCOC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1.COC(=O)c1ccc(COC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.
What is the InChIKey of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?
The InChIKey is VAJMDIKUOJTITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN6O4.C27H20ClN5O4.C21H20ClN7O.C20H17ClN6O/c1-2-37-26(35)16-8-9-19(30-12-16)14-38-27(36)24-25(29)33-22(15-6-4-3-5-7-15)23(32-24)17-10-18-13-31-34-21(18)20(28)11-17;1-36-26(34)17-9-7-15(8-10-17)14-37-27(35)24-25(29)32-22(16-5-3-2-4-6-16)23(31-24)18-11-19-13-30-33-21(19)20(28)12-18;1-3-24-21(30)29(2)20-19(23)26-17(12-7-5-4-6-8-12)18(27-20)13-9-14-11-25-28-16(14)15(22)10-13;1-2-15(28)24-20-19(22)25-17(11-6-4-3-5-7-11)18(26-20)12-8-13-10-23-27-16(13)14(21)9-12/h3-13H,2,14H2,1H3,(H2,29,33)(H,31,34);2-13H,14H2,1H3,(H2,29,32)(H,30,33);4-11H,3H2,1-2H3,(H2,23,26)(H,24,30)(H,25,28);3-10H,2H2,1H3,(H2,22,25)(H,23,27)(H,24,26,28).
What are the key properties of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate has a molecular weight of 1857.64 g/mol, XLogP of 18.28, 21 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-ethyl-1-methylurea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propanamide;(5-ethoxycarbonyl-2-pyridinyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-methoxycarbonylphenyl)methyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 161243947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).