tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane — IUPAC name, SMILES, InChIKey & properties

Name: tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 158115409) has the molecular formula C92H110Cl3F3IN11O9Si2 and a molecular weight of 1860.39 g/mol. Its IUPAC name is tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name	tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID	158115409
Molecular Formula	C92H110Cl3F3IN11O9Si2
Molecular Weight	1860.39 g/mol
Exact Mass	1857.61
IUPAC Name	tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILES	CC(C)(C)OC(=O)N(Cc1ccccc1Cl)c1ccc(C=O)c(F)n1.COc1cnc2[nH]cc(Cc3ccc(CCc4ccccc4Cl)nc3F)c2c1.COc1cnc2c(c1)c(C(O)c1ccc(N(Cc3ccccc3Cl)C(=O)OC(C)(C)C)nc1F)cn2[Si](C(C)C)(C(C)C)C(C)C.COc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C
InChI	InChI=1S/C35H46ClFN4O4Si.C22H19ClFN3O.C18H18ClFN2O3.C17H27IN2OSi/c1-21(2)46(22(3)4,23(5)6)41-20-28(27-17-25(44-10)18-38-33(27)41)31(42)26-15-16-30(39-32(26)37)40(34(43)45-35(7,8)9)19-24-13-11-12-14-29(24)36;1-28-18-11-19-16(12-25-22(19)26-13-18)10-15-7-9-17(27-21(15)24)8-6-14-4-2-3-5-20(14)23;1-18(2,3)25-17(24)22(10-12-6-4-5-7-14(12)19)15-9-8-13(11-23)16(20)21-15;1-11(2)22(12(3)4,13(5)6)20-10-16(18)15-8-14(21-7)9-19-17(15)20/h11-18,20-23,31,42H,19H2,1-10H3;2-5,7,9,11-13H,6,8,10H2,1H3,(H,25,26);4-9,11H,10H2,1-3H3;8-13H,1-7H3
InChIKey	FQYBKGDBNFFCPT-UHFFFAOYSA-N
XLogP	24.72
TPSA	227.06 Å²
H-Bond Donors	2
H-Bond Acceptors	17
Rotatable Bonds	25
Heavy Atoms	121
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.39
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 158115409) is tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

What is the SMILES notation for tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The canonical SMILES for tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)(C)OC(=O)N(Cc1ccccc1Cl)c1ccc(C=O)c(F)n1.COc1cnc2[nH]cc(Cc3ccc(CCc4ccccc4Cl)nc3F)c2c1.COc1cnc2c(c1)c(C(O)c1ccc(N(Cc3ccccc3Cl)C(=O)OC(C)(C)C)nc1F)cn2[Si](C(C)C)(C(C)C)C(C)C.COc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is FQYBKGDBNFFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46ClFN4O4Si.C22H19ClFN3O.C18H18ClFN2O3.C17H27IN2OSi/c1-21(2)46(22(3)4,23(5)6)41-20-28(27-17-25(44-10)18-38-33(27)41)31(42)26-15-16-30(39-32(26)37)40(34(43)45-35(7,8)9)19-24-13-11-12-14-29(24)36;1-28-18-11-19-16(12-25-22(19)26-13-18)10-15-7-9-17(27-21(15)24)8-6-14-4-2-3-5-20(14)23;1-18(2,3)25-17(24)22(10-12-6-4-5-7-14(12)19)15-9-8-13(11-23)16(20)21-15;1-11(2)22(12(3)4,13(5)6)20-10-16(18)15-8-14(21-7)9-19-17(15)20/h11-18,20-23,31,42H,19H2,1-10H3;2-5,7,9,11-13H,6,8,10H2,1H3,(H,25,26);4-9,11H,10H2,1-3H3;8-13H,1-7H3.

What are the key properties of tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

Where does this data come from?

All data for tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(2-chlorophenyl)methyl]-N-[6-fluoro-5-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 158115409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).