4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine

C113H88Cl5FN30O2 — CID 158064971

IUPAC4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine
SMILESCC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cn1.N#Cc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C25H22ClN7.C25H18ClN7.C24H18ClFN6.C20H16ClN5O.C19H14ClN5O/c1-2-19-9-8-15(12-28-19)13-29-25-24(27)31-22(16-6-4-3-5-7-16)23(32-25)17-10-18-14-30-33-21(18)20(26)11-17;26-20-11-18(10-19-14-30-33-21(19)20)23-22(17-4-2-1-3-5-17)31-24(28)25(32-23)29-13-16-8-6-15(12-27)7-9-16;25-19-11-16(10-17-13-29-32-20(17)19)22-21(15-4-2-1-3-5-15)30-23(27)24(31-22)28-12-14-6-8-18(26)9-7-14;1-2-15(27)19-20(22)25-17(11-6-4-3-5-7-11)18(24-19)12-8-13-10-23-26-16(13)14(21)9-12;1-10(26)15-19(21)24-17(11-5-3-2-4-6-11)18(23-15)12-7-13-9-22-25-16(13)14(20)8-12/h3-12,14H,2,13H2,1H3,(H2,27,31)(H,29,32)(H,30,33);1-11,14H,13H2,(H2,28,31)(H,29,32)(H,30,33);1-11,13H,12H2,(H2,27,30)(H,28,31)(H,29,32);3-10H,2H2,1H3,(H2,22,25)(H,23,26);2-9H,1H3,(H2,21,24)(H,22,25)
InChIKeyFLCOEPMLUDJEJT-UHFFFAOYSA-N
MW2094.42 g/mol
LogP25.21
Rot. Bonds23

About 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine

4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine (PubChem CID 158064971) has the molecular formula C113H88Cl5FN30O2 and a molecular weight of 2094.42 g/mol. Its IUPAC name is 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine.

Molecular Properties

Compound Name4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine
PubChem CID158064971
Molecular FormulaC113H88Cl5FN30O2
Molecular Weight2094.42 g/mol
Exact Mass2090.61
IUPAC Name4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine
SMILESCC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cn1.N#Cc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C25H22ClN7.C25H18ClN7.C24H18ClFN6.C20H16ClN5O.C19H14ClN5O/c1-2-19-9-8-15(12-28-19)13-29-25-24(27)31-22(16-6-4-3-5-7-16)23(32-25)17-10-18-14-30-33-21(18)20(26)11-17;26-20-11-18(10-19-14-30-33-21(19)20)23-22(17-4-2-1-3-5-17)31-24(28)25(32-23)29-13-16-8-6-15(12-27)7-9-16;25-19-11-16(10-17-13-29-32-20(17)19)22-21(15-4-2-1-3-5-15)30-23(27)24(31-22)28-12-14-6-8-18(26)9-7-14;1-2-15(27)19-20(22)25-17(11-6-4-3-5-7-11)18(24-19)12-8-13-10-23-26-16(13)14(21)9-12;1-10(26)15-19(21)24-17(11-5-3-2-4-6-11)18(23-15)12-7-13-9-22-25-16(13)14(20)8-12/h3-12,14H,2,13H2,1H3,(H2,27,31)(H,29,32)(H,30,33);1-11,14H,13H2,(H2,28,31)(H,29,32)(H,30,33);1-11,13H,12H2,(H2,27,30)(H,28,31)(H,29,32);3-10H,2H2,1H3,(H2,22,25)(H,23,26);2-9H,1H3,(H2,21,24)(H,22,25)
InChIKeyFLCOEPMLUDJEJT-UHFFFAOYSA-N
XLogP25.21
TPSA509.31 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002094.42
LogP ≤ 525.21
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine?
The IUPAC name of 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine (CID 158064971) is 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine.
What is the SMILES notation for 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine?
The canonical SMILES for 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine is CC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cn1.N#Cc1ccc(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCc1ccc(F)cc1.
What is the InChIKey of 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine?
The InChIKey is FLCOEPMLUDJEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7.C25H18ClN7.C24H18ClFN6.C20H16ClN5O.C19H14ClN5O/c1-2-19-9-8-15(12-28-19)13-29-25-24(27)31-22(16-6-4-3-5-7-16)23(32-25)17-10-18-14-30-33-21(18)20(26)11-17;26-20-11-18(10-19-14-30-33-21(19)20)23-22(17-4-2-1-3-5-17)31-24(28)25(32-23)29-13-16-8-6-15(12-27)7-9-16;25-19-11-16(10-17-13-29-32-20(17)19)22-21(15-4-2-1-3-5-15)30-23(27)24(31-22)28-12-14-6-8-18(26)9-7-14;1-2-15(27)19-20(22)25-17(11-6-4-3-5-7-11)18(24-19)12-8-13-10-23-26-16(13)14(21)9-12;1-10(26)15-19(21)24-17(11-5-3-2-4-6-11)18(23-15)12-7-13-9-22-25-16(13)14(20)8-12/h3-12,14H,2,13H2,1H3,(H2,27,31)(H,29,32)(H,30,33);1-11,14H,13H2,(H2,28,31)(H,29,32)(H,30,33);1-11,13H,12H2,(H2,27,30)(H,28,31)(H,29,32);3-10H,2H2,1H3,(H2,22,25)(H,23,26);2-9H,1H3,(H2,21,24)(H,22,25).
What are the key properties of 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine?
4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine has a molecular weight of 2094.42 g/mol, XLogP of 25.21, 23 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]methyl]benzonitrile;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]ethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]propan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-N-[(6-ethyl-3-pyridinyl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 158064971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).