tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane

C89H80I4N16O6Si2 — CID 159948592

IUPACtert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane
SMILESC#C[Si](C)(C)C.C#Cc1cnc2[nH]ccc2c1.COc1cc(C#Cc2cnc3[nH]cc(I)c3c2)ccn1.COc1cc(C#Cc2cnc3[nH]ccc3c2)ccn1.COc1cc(C#Cc2cnc3c(c2)c(I)cn3C(=O)OC(C)(C)C)ccn1.COc1cc(I)ccn1.C[Si](C)(C)C#Cc1cnc2[nH]ccc2c1.Ic1cnc2[nH]ccc2c1
InChIInChI=1S/C20H18IN3O3.C15H10IN3O.C15H11N3O.C12H14N2Si.C9H6N2.C7H5IN2.C6H6INO.C5H10Si/c1-20(2,3)27-19(25)24-12-16(21)15-9-14(11-23-18(15)24)6-5-13-7-8-22-17(10-13)26-4;1-20-14-7-10(4-5-17-14)2-3-11-6-12-13(16)9-19-15(12)18-8-11;1-19-14-9-11(4-6-16-14)2-3-12-8-13-5-7-17-15(13)18-10-12;1-15(2,3)7-5-10-8-11-4-6-13-12(11)14-9-10;1-2-7-5-8-3-4-10-9(8)11-6-7;8-6-3-5-1-2-9-7(5)10-4-6;1-9-6-4-5(7)2-3-8-6;1-5-6(2,3)4/h7-12H,1-4H3;4-9H,1H3,(H,18,19);4-10H,1H3,(H,17,18);4,6,8-9H,1-3H3,(H,13,14);1,3-6H,(H,10,11);1-4H,(H,9,10);2-4H,1H3;1H,2-4H3
InChIKeyOBUSJRBCRJOOEO-UHFFFAOYSA-N
MW2033.51 g/mol
LogP19.26
Rot. Bonds4

About tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane

tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane (PubChem CID 159948592) has the molecular formula C89H80I4N16O6Si2 and a molecular weight of 2033.51 g/mol. Its IUPAC name is tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane.

Molecular Properties

Compound Nametert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane
PubChem CID159948592
Molecular FormulaC89H80I4N16O6Si2
Molecular Weight2033.51 g/mol
Exact Mass2032.22
IUPAC Nametert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane
SMILESC#C[Si](C)(C)C.C#Cc1cnc2[nH]ccc2c1.COc1cc(C#Cc2cnc3[nH]cc(I)c3c2)ccn1.COc1cc(C#Cc2cnc3[nH]ccc3c2)ccn1.COc1cc(C#Cc2cnc3c(c2)c(I)cn3C(=O)OC(C)(C)C)ccn1.COc1cc(I)ccn1.C[Si](C)(C)C#Cc1cnc2[nH]ccc2c1.Ic1cnc2[nH]ccc2c1
InChIInChI=1S/C20H18IN3O3.C15H10IN3O.C15H11N3O.C12H14N2Si.C9H6N2.C7H5IN2.C6H6INO.C5H10Si/c1-20(2,3)27-19(25)24-12-16(21)15-9-14(11-23-18(15)24)6-5-13-7-8-22-17(10-13)26-4;1-20-14-7-10(4-5-17-14)2-3-11-6-12-13(16)9-19-15(12)18-8-11;1-19-14-9-11(4-6-16-14)2-3-12-8-13-5-7-17-15(13)18-10-12;1-15(2,3)7-5-10-8-11-4-6-13-12(11)14-9-10;1-2-7-5-8-3-4-10-9(8)11-6-7;8-6-3-5-1-2-9-7(5)10-4-6;1-9-6-4-5(7)2-3-8-6;1-5-6(2,3)4/h7-12H,1-4H3;4-9H,1H3,(H,18,19);4-10H,1H3,(H,17,18);4,6,8-9H,1-3H3,(H,13,14);1,3-6H,(H,10,11);1-4H,(H,9,10);2-4H,1H3;1H,2-4H3
InChIKeyOBUSJRBCRJOOEO-UHFFFAOYSA-N
XLogP19.26
TPSA276.00 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.51
LogP ≤ 519.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-ynyl]cyclopropyl]carbamate
CID 178023575
tert-butyl 3-methyl-5-(2-trimethylsilylethynyl)indazole-1-carboxylate
CID 91263951
5-O-benzyl 1-O-tert-butyl 3-iodopyrrolo[2,3-b]pyridine-1,5-dicarboxylate
CID 142728122
tert-butyl N-[3-(4-iodophenoxy)propyl]carbamate;tert-butyl N-[3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]carbamate;ethynyl(trimethyl)silane
CID 157090125
1-O-tert-butyl 6-O-methyl 3-iodoindole-1,6-dicarboxylate
CID 7127827
tert-butyl 5-carbamoyl-3-iodoindole-1-carboxylate
CID 67960127
(E)-3-[6-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]prop-2-enamide
CID 122421479
tert-butyl 3-iodopyrrolo[3,2-b]pyridine-1-carboxylate
CID 101043352
tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
CID 144820320
tert-butyl 2-ethynyl-5-methoxypyrrolo[2,3-c]pyridine-1-carboxylate
CID 170434557
2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynamine
CID 145080935
tert-butyl 2-[1-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)azetidin-3-yl]acetate
CID 158978269

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane?
The IUPAC name of tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane (CID 159948592) is tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane.
What is the SMILES notation for tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane?
The canonical SMILES for tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane is C#C[Si](C)(C)C.C#Cc1cnc2[nH]ccc2c1.COc1cc(C#Cc2cnc3[nH]cc(I)c3c2)ccn1.COc1cc(C#Cc2cnc3[nH]ccc3c2)ccn1.COc1cc(C#Cc2cnc3c(c2)c(I)cn3C(=O)OC(C)(C)C)ccn1.COc1cc(I)ccn1.C[Si](C)(C)C#Cc1cnc2[nH]ccc2c1.Ic1cnc2[nH]ccc2c1.
What is the InChIKey of tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane?
The InChIKey is OBUSJRBCRJOOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18IN3O3.C15H10IN3O.C15H11N3O.C12H14N2Si.C9H6N2.C7H5IN2.C6H6INO.C5H10Si/c1-20(2,3)27-19(25)24-12-16(21)15-9-14(11-23-18(15)24)6-5-13-7-8-22-17(10-13)26-4;1-20-14-7-10(4-5-17-14)2-3-11-6-12-13(16)9-19-15(12)18-8-11;1-19-14-9-11(4-6-16-14)2-3-12-8-13-5-7-17-15(13)18-10-12;1-15(2,3)7-5-10-8-11-4-6-13-12(11)14-9-10;1-2-7-5-8-3-4-10-9(8)11-6-7;8-6-3-5-1-2-9-7(5)10-4-6;1-9-6-4-5(7)2-3-8-6;1-5-6(2,3)4/h7-12H,1-4H3;4-9H,1H3,(H,18,19);4-10H,1H3,(H,17,18);4,6,8-9H,1-3H3,(H,13,14);1,3-6H,(H,10,11);1-4H,(H,9,10);2-4H,1H3;1H,2-4H3.
What are the key properties of tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane?
tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane has a molecular weight of 2033.51 g/mol, XLogP of 19.26, 4 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]pyrrolo[2,3-b]pyridine-1-carboxylate;5-ethynyl-1H-pyrrolo[2,3-b]pyridine;ethynyl(trimethyl)silane;4-iodo-2-methoxypyridine;3-iodo-5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;5-iodo-1H-pyrrolo[2,3-b]pyridine;5-[2-(2-methoxy-4-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]silane is sourced from PubChem (CID 159948592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).