bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C150H147Br4ClN40O15S2Sn — CID 159741512

IUPACbis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESBrc1cccc(-c2ncn[nH]2)n1.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-c3ncn(C)n3)n1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4ncn(C)n4)n3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4ncn(C)n4)n3)cc12.Cn1cnc(-c2cccc(Br)n2)n1.Cn1cnc(-c2cccc(Br)n2)n1.N#Cc1cccc(Br)n1.NNC=O.O=C(Cl)C1CC1
InChIInChI=1S/C37H31N7O4S.C29H24N3O4S.C21H19N7O3.C17H15N7O2.2C8H7BrN4.C7H5BrN4.C6H3BrN2.C4H5ClO.3C4H9.CH4N2O.Sn/c1-42-25-39-35(41-42)32-20-12-19-31(40-32)33-21-29-30(37(45)48-2)22-38-36(34(29)44(33)49(46,47)28-17-10-5-11-18-28)43(23-26-13-6-3-7-14-26)24-27-15-8-4-9-16-27;1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-28-10-23-18(27-28)15-5-3-4-14(24-15)16-8-12-13(21(30)31-2)9-22-19(17(12)25-16)26-20(29)11-6-7-11;1-24-8-20-16(23-24)12-5-3-4-11(21-12)13-6-9-10(17(25)26-2)7-19-15(18)14(9)22-13;2*1-13-5-10-8(12-13)6-3-2-4-7(9)11-6;8-6-3-1-2-5(11-6)7-9-4-10-12-7;7-6-3-1-2-5(4-8)9-6;5-4(6)3-1-2-3;3*1-3-4-2;2-3-1-4;/h3-22,25H,23-24H2,1-2H3;2-17,19H,20-21H2,1H3;3-5,8-11,25H,6-7H2,1-2H3,(H,22,26,29);3-8,22H,1-2H3,(H2,18,19);2*2-5H,1H3;1-4H,(H,9,10,12);1-3H;3H,1-2H2;3*1,3-4H2,2H3;1H,2H2,(H,3,4);
InChIKeyNCNBOIRNKBJJOA-UHFFFAOYSA-N
MW3288.00 g/mol
LogP26.18
Rot. Bonds41

About bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 159741512) has the molecular formula C150H147Br4ClN40O15S2Sn and a molecular weight of 3288.00 g/mol. Its IUPAC name is bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namebis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID159741512
Molecular FormulaC150H147Br4ClN40O15S2Sn
Molecular Weight3288.00 g/mol
Exact Mass3282.69
IUPAC Namebis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESBrc1cccc(-c2ncn[nH]2)n1.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-c3ncn(C)n3)n1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4ncn(C)n4)n3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4ncn(C)n4)n3)cc12.Cn1cnc(-c2cccc(Br)n2)n1.Cn1cnc(-c2cccc(Br)n2)n1.N#Cc1cccc(Br)n1.NNC=O.O=C(Cl)C1CC1
InChIInChI=1S/C37H31N7O4S.C29H24N3O4S.C21H19N7O3.C17H15N7O2.2C8H7BrN4.C7H5BrN4.C6H3BrN2.C4H5ClO.3C4H9.CH4N2O.Sn/c1-42-25-39-35(41-42)32-20-12-19-31(40-32)33-21-29-30(37(45)48-2)22-38-36(34(29)44(33)49(46,47)28-17-10-5-11-18-28)43(23-26-13-6-3-7-14-26)24-27-15-8-4-9-16-27;1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-28-10-23-18(27-28)15-5-3-4-14(24-15)16-8-12-13(21(30)31-2)9-22-19(17(12)25-16)26-20(29)11-6-7-11;1-24-8-20-16(23-24)12-5-3-4-11(21-12)13-6-9-10(17(25)26-2)7-19-15(18)14(9)22-13;2*1-13-5-10-8(12-13)6-3-2-4-7(9)11-6;8-6-3-1-2-5(11-6)7-9-4-10-12-7;7-6-3-1-2-5(4-8)9-6;5-4(6)3-1-2-3;3*1-3-4-2;2-3-1-4;/h3-22,25H,23-24H2,1-2H3;2-17,19H,20-21H2,1H3;3-5,8-11,25H,6-7H2,1-2H3,(H,22,26,29);3-8,22H,1-2H3,(H2,18,19);2*2-5H,1H3;1-4H,(H,9,10,12);1-3H;3H,1-2H2;3*1,3-4H2,2H3;1H,2H2,(H,3,4);
InChIKeyNCNBOIRNKBJJOA-UHFFFAOYSA-N
XLogP26.18
TPSA709.41 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds41
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.00
LogP ≤ 526.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

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Related Compounds

7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide
CID 157054464
bis(2-bromo-4-(1-methyl-1,2,4-triazol-3-yl)pyridine);2-bromo-4-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate
CID 157620035
cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(2-methyltetrazol-5-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 158037070
cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-isocyano-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-isocyano-3-(1-methylpyrazol-4-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-isocyano-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 158440421
cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 158952640
bis(2-bromo-4-(1-methyl-1,2,4-triazol-3-yl)pyridine);2-bromo-4-(1H-1,2,4-triazol-5-yl)pyridine;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate
CID 165000897
cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 165015861

Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 159741512) is bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is Brc1cccc(-c2ncn[nH]2)n1.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-c3ncn(C)n3)n1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4ncn(C)n4)n3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4ncn(C)n4)n3)cc12.Cn1cnc(-c2cccc(Br)n2)n1.Cn1cnc(-c2cccc(Br)n2)n1.N#Cc1cccc(Br)n1.NNC=O.O=C(Cl)C1CC1.
What is the InChIKey of bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is NCNBOIRNKBJJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N7O4S.C29H24N3O4S.C21H19N7O3.C17H15N7O2.2C8H7BrN4.C7H5BrN4.C6H3BrN2.C4H5ClO.3C4H9.CH4N2O.Sn/c1-42-25-39-35(41-42)32-20-12-19-31(40-32)33-21-29-30(37(45)48-2)22-38-36(34(29)44(33)49(46,47)28-17-10-5-11-18-28)43(23-26-13-6-3-7-14-26)24-27-15-8-4-9-16-27;1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-28-10-23-18(27-28)15-5-3-4-14(24-15)16-8-12-13(21(30)31-2)9-22-19(17(12)25-16)26-20(29)11-6-7-11;1-24-8-20-16(23-24)12-5-3-4-11(21-12)13-6-9-10(17(25)26-2)7-19-15(18)14(9)22-13;2*1-13-5-10-8(12-13)6-3-2-4-7(9)11-6;8-6-3-1-2-5(11-6)7-9-4-10-12-7;7-6-3-1-2-5(4-8)9-6;5-4(6)3-1-2-3;3*1-3-4-2;2-3-1-4;/h3-22,25H,23-24H2,1-2H3;2-17,19H,20-21H2,1H3;3-5,8-11,25H,6-7H2,1-2H3,(H,22,26,29);3-8,22H,1-2H3,(H2,18,19);2*2-5H,1H3;1-4H,(H,9,10,12);1-3H;3H,1-2H2;3*1,3-4H2,2H3;1H,2H2,(H,3,4);.
What are the key properties of bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 3288.00 g/mol, XLogP of 26.18, 41 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromo-6-(1-methyl-1,2,4-triazol-3-yl)pyridine);6-bromopyridine-2-carbonitrile;2-bromo-6-(1H-1,2,4-triazol-5-yl)pyridine;cyclopropanecarbonyl chloride;formohydrazide;methyl 7-amino-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[6-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 159741512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).