tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane

C57H71BrN12O4Sn — CID 158370298

IUPACtert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane
SMILESCC(C)(C)OC(=O)n1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.CCCC[Sn](CCCC)(CCCC)c1cnccn1.c1cnc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C21H23BrN4O3.C20H18N6O.C4H3N2.3C4H9.Sn/c1-21(2,3)29-20(27)26-17-5-4-15(22)13-16(17)19(24-26)14-6-7-23-18(12-14)25-8-10-28-11-9-25;1-2-17-16(11-14(1)18-13-21-5-6-22-18)20(25-24-17)15-3-4-23-19(12-15)26-7-9-27-10-8-26;1-2-6-4-3-5-1;3*1-3-4-2;/h4-7,12-13H,8-11H2,1-3H3;1-6,11-13H,7-10H2,(H,24,25);1-3H;3*1,3-4H2,2H3;
InChIKeyGUNKOPDICLJRIH-UHFFFAOYSA-N
MW1186.89 g/mol
LogP11.93
Rot. Bonds15

About tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane

tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane (PubChem CID 158370298) has the molecular formula C57H71BrN12O4Sn and a molecular weight of 1186.89 g/mol. Its IUPAC name is tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane.

Molecular Properties

Compound Nametert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane
PubChem CID158370298
Molecular FormulaC57H71BrN12O4Sn
Molecular Weight1186.89 g/mol
Exact Mass1186.39
IUPAC Nametert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane
SMILESCC(C)(C)OC(=O)n1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.CCCC[Sn](CCCC)(CCCC)c1cnccn1.c1cnc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C21H23BrN4O3.C20H18N6O.C4H3N2.3C4H9.Sn/c1-21(2,3)29-20(27)26-17-5-4-15(22)13-16(17)19(24-26)14-6-7-23-18(12-14)25-8-10-28-11-9-25;1-2-17-16(11-14(1)18-13-21-5-6-22-18)20(25-24-17)15-3-4-23-19(12-15)26-7-9-27-10-8-26;1-2-6-4-3-5-1;3*1-3-4-2;/h4-7,12-13H,8-11H2,1-3H3;1-6,11-13H,7-10H2,(H,24,25);1-3H;3*1,3-4H2,2H3;
InChIKeyGUNKOPDICLJRIH-UHFFFAOYSA-N
XLogP11.93
TPSA175.08 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.89
LogP ≤ 511.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane with MolForge

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Related Compounds

N-(4-bromophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
CID 171354694
4-[3-bromo-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253826
tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[3,4-b]pyrazine;1-[6-[5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 159521819
tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate
CID 122585617
tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;N-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-8-amine
CID 157376700
4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine
CID 158222864
tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;8-[(5-methyl-1H-indazol-4-yl)methyl]-4-piperidin-1-ylpyrido[3,4-d]pyrimidine
CID 158355987
tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;1-[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine;2-propan-2-yloxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 159174099
tert-butyl (2S)-4-(3-amino-6-bromopyrazin-2-yl)-2-benzylpiperazine-1-carboxylate;tert-butyl (2S)-4-[3-amino-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]-2-benzylpiperazine-1-carboxylate;trimethyl-(3-methyl-2H-indazol-5-yl)stannane
CID 159479566
2-[[5-Bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 4-[4-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 159633271
3-[(3S)-3-benzylpiperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;tert-butyl (2S)-4-[3-amino-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]-2-benzylpiperazine-1-carboxylate
CID 159724365
2-[[5-Bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
CID 160937106

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane?
The IUPAC name of tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane (CID 158370298) is tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane.
What is the SMILES notation for tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane?
The canonical SMILES for tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane is CC(C)(C)OC(=O)n1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.CCCC[Sn](CCCC)(CCCC)c1cnccn1.c1cnc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1.
What is the InChIKey of tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane?
The InChIKey is GUNKOPDICLJRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3.C20H18N6O.C4H3N2.3C4H9.Sn/c1-21(2,3)29-20(27)26-17-5-4-15(22)13-16(17)19(24-26)14-6-7-23-18(12-14)25-8-10-28-11-9-25;1-2-17-16(11-14(1)18-13-21-5-6-22-18)20(25-24-17)15-3-4-23-19(12-15)26-7-9-27-10-8-26;1-2-6-4-3-5-1;3*1-3-4-2;/h4-7,12-13H,8-11H2,1-3H3;1-6,11-13H,7-10H2,(H,24,25);1-3H;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane?
tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane has a molecular weight of 1186.89 g/mol, XLogP of 11.93, 15 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazole-1-carboxylate;4-[4-(5-pyrazin-2-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine;tributyl(pyrazin-2-yl)stannane is sourced from PubChem (CID 158370298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).