cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate

C131H134B2ClFI3N15O21S2 — CID 162095667

IUPACcyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCC1(C)OB(c2cccnc2OC2CC2)OC1(C)C.CC1(C)OB(c2cccnc2OC2CC2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccnc1OC1CC1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccnc3OC3CC3)cc12.Fc1ncccc1I.Ic1cccnc1OC1CC1.O=C(Cl)C1CC1.OC1CC1
InChIInChI=1S/C37H32N4O5S.C29H24IN3O4S.C17H16N4O3.2C14H20BNO3.C8H8INO.C5H3FIN.C4H5ClO.C3H6O/c1-45-37(42)32-23-39-35(40(24-26-12-5-2-6-13-26)25-27-14-7-3-8-15-27)34-31(32)22-33(30-18-11-21-38-36(30)46-28-19-20-28)41(34)47(43,44)29-16-9-4-10-17-29;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-23-17(22)12-8-20-15(18)14-11(12)7-13(21-14)10-3-2-6-19-16(10)24-9-4-5-9;2*1-13(2)14(3,4)19-15(18-13)11-6-5-9-16-12(11)17-10-7-8-10;9-7-2-1-5-10-8(7)11-6-3-4-6;6-5-4(7)2-1-3-8-5;5-4(6)3-1-2-3;4-3-1-2-3/h2-18,21-23,28H,19-20,24-25H2,1H3;2-18H,19-20H2,1H3;2-3,6-9,21H,4-5H2,1H3,(H2,18,20);2*5-6,9-10H,7-8H2,1-4H3;1-2,5-6H,3-4H2;1-3H;3H,1-2H2;3-4H,1-2H2
InChIKeyZEFGSPUAYNQYIS-UHFFFAOYSA-N
MW2775.52 g/mol
LogP24.48
Rot. Bonds32

About cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate

cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 162095667) has the molecular formula C131H134B2ClFI3N15O21S2 and a molecular weight of 2775.52 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namecyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID162095667
Molecular FormulaC131H134B2ClFI3N15O21S2
Molecular Weight2775.52 g/mol
Exact Mass2773.63
IUPAC Namecyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCC1(C)OB(c2cccnc2OC2CC2)OC1(C)C.CC1(C)OB(c2cccnc2OC2CC2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccnc1OC1CC1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccnc3OC3CC3)cc12.Fc1ncccc1I.Ic1cccnc1OC1CC1.O=C(Cl)C1CC1.OC1CC1
InChIInChI=1S/C37H32N4O5S.C29H24IN3O4S.C17H16N4O3.2C14H20BNO3.C8H8INO.C5H3FIN.C4H5ClO.C3H6O/c1-45-37(42)32-23-39-35(40(24-26-12-5-2-6-13-26)25-27-14-7-3-8-15-27)34-31(32)22-33(30-18-11-21-38-36(30)46-28-19-20-28)41(34)47(43,44)29-16-9-4-10-17-29;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-23-17(22)12-8-20-15(18)14-11(12)7-13(21-14)10-3-2-6-19-16(10)24-9-4-5-9;2*1-13(2)14(3,4)19-15(18-13)11-6-5-9-16-12(11)17-10-7-8-10;9-7-2-1-5-10-8(7)11-6-3-4-6;6-5-4(7)2-1-3-8-5;5-4(6)3-1-2-3;4-3-1-2-3/h2-18,21-23,28H,19-20,24-25H2,1H3;2-18H,19-20H2,1H3;2-3,6-9,21H,4-5H2,1H3,(H2,18,20);2*5-6,9-10H,7-8H2,1-4H3;1-2,5-6H,3-4H2;1-3H;3H,1-2H2;3-4H,1-2H2
InChIKeyZEFGSPUAYNQYIS-UHFFFAOYSA-N
XLogP24.48
TPSA441.71 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002775.52
LogP ≤ 524.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[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
5-[[1-(benzenesulfonyl)-4-cyclopropylpyrrolo[3,2-c]pyridin-3-yl]methyl]-6-fluoro-N-(6-methoxy-3-pyridinyl)pyridin-2-amine;tert-butyl N-[5-[[1-(benzenesulfonyl)-4-cyclopropylpyrrolo[3,2-c]pyridin-3-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)carbamate;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)carbamate;1-(cyclohexatrienylsulfonyl)-4-cyclopropyl-3-iodopyrrolo[3,2-c]pyridine;5-[(4-cyclopropyl-1H-pyrrolo[3,2-c]pyridin-3-yl)methyl]-6-fluoro-N-(6-methoxy-3-pyridinyl)pyridin-2-amine
CID 157549199
cyclopropanecarbonyl chloride;2-[6-cyclopropyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-1,3-thiazole;methyl 7-amino-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
CID 159305606
3-bromo-2-ethoxypyridine;cyclopropanecarbonyl chloride;bis(2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 7-amino-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(2-ethoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(2-ethoxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 159404983
7-(benzenesulfonyl)-4-cyclopropyl-5-iodopyrrolo[2,3-d]pyrimidine;5-[[7-(benzenesulfonyl)-4-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-6-fluoro-N-(6-methoxy-3-pyridinyl)pyridin-2-amine;tert-butyl N-[5-[[7-(benzenesulfonyl)-4-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)carbamate;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)carbamate;5-[(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-6-fluoro-N-(6-methoxy-3-pyridinyl)pyridin-2-amine
CID 159899863
3-Bromo-2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)pyridine;bis(2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
CID 160672151
[7-(benzenesulfonyl)-4-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanone;tert-butyl N-[5-[7-(benzenesulfonyl)-4-cyclopropylpyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)carbamate;tert-butyl N-[5-[[7-(benzenesulfonyl)-4-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)carbamate;(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[2-fluoro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanone
CID 162047231
5-bromo-1-ethylpyridin-2-one;cyclopropanecarbonyl chloride;bis(1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);methyl 7-amino-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-(1-ethyl-6-oxo-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 162061284
cyclopropanecarbonyl chloride;2-[6-cyclopropyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-1,3-thiazole;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
CID 164965490
cyclopropanecarbonyl chloride;2-ethoxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-ethoxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
CID 164992676
cyclopropanecarbonyl chloride;3-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methyl-1,2,4-triazole;methane;methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
CID 164999975
cyclopropanecarbonyl chloride;4,4-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5H-1,3-thiazole;methyl 7-amino-2-[3-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 165004462

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate (CID 162095667) is cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate is CC1(C)OB(c2cccnc2OC2CC2)OC1(C)C.CC1(C)OB(c2cccnc2OC2CC2)OC1(C)C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccnc1OC1CC1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccnc3OC3CC3)cc12.Fc1ncccc1I.Ic1cccnc1OC1CC1.O=C(Cl)C1CC1.OC1CC1.
What is the InChIKey of cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is ZEFGSPUAYNQYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O5S.C29H24IN3O4S.C17H16N4O3.2C14H20BNO3.C8H8INO.C5H3FIN.C4H5ClO.C3H6O/c1-45-37(42)32-23-39-35(40(24-26-12-5-2-6-13-26)25-27-14-7-3-8-15-27)34-31(32)22-33(30-18-11-21-38-36(30)46-28-19-20-28)41(34)47(43,44)29-16-9-4-10-17-29;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-23-17(22)12-8-20-15(18)14-11(12)7-13(21-14)10-3-2-6-19-16(10)24-9-4-5-9;2*1-13(2)14(3,4)19-15(18-13)11-6-5-9-16-12(11)17-10-7-8-10;9-7-2-1-5-10-8(7)11-6-3-4-6;6-5-4(7)2-1-3-8-5;5-4(6)3-1-2-3;4-3-1-2-3/h2-18,21-23,28H,19-20,24-25H2,1H3;2-18H,19-20H2,1H3;2-3,6-9,21H,4-5H2,1H3,(H2,18,20);2*5-6,9-10H,7-8H2,1-4H3;1-2,5-6H,3-4H2;1-3H;3H,1-2H2;3-4H,1-2H2.
What are the key properties of cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?
cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2775.52 g/mol, XLogP of 24.48, 32 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl chloride;cyclopropanol;2-cyclopropyloxy-3-iodopyridine;bis(2-cyclopropyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine);2-fluoro-3-iodopyridine;methyl 7-amino-2-(2-cyclopropyloxy-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-(2-cyclopropyloxy-3-pyridinyl)-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 162095667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).