[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159883887) has the molecular formula C75H78Cl3F3IN9O2Si2 and a molecular weight of 1483.94 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name	[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID	159883887
Molecular Formula	C75H78Cl3F3IN9O2Si2
Molecular Weight	1483.94 g/mol
Exact Mass	1481.39
IUPAC Name	[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILES	CC(C)(C)[Si](C)(C)n1cc(C(O)c2ccc(CCc3ccc(Cl)cc3)nc2F)c2cccnc21.CC(C)(C)[Si](C)(C)n1cc(I)c2cccnc21.Fc1nc(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.O=Cc1ccc(CCc2ccc(Cl)cc2)nc1F
InChI	InChI=1S/C27H31ClFN3OSi.C21H17ClFN3.C14H11ClFNO.C13H19IN2Si/c1-27(2,3)34(4,5)32-17-23(21-7-6-16-30-26(21)32)24(33)22-15-14-20(31-25(22)29)13-10-18-8-11-19(28)12-9-18;22-17-7-3-14(4-8-17)5-9-18-10-6-15(20(23)26-18)12-16-13-25-21-19(16)2-1-11-24-21;15-12-5-1-10(2-6-12)3-7-13-8-4-11(9-18)14(16)17-13;1-13(2,3)17(4,5)16-9-11(14)10-7-6-8-15-12(10)16/h6-9,11-12,14-17,24,33H,10,13H2,1-5H3;1-4,6-8,10-11,13H,5,9,12H2,(H,24,25);1-2,4-6,8-9H,3,7H2;6-9H,1-5H3
InChIKey	NTWPQSUQKPUCIC-UHFFFAOYSA-N
XLogP	20.04
TPSA	140.29 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	16
Heavy Atoms	95
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.94
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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 [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 159883887) is [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)[Si](C)(C)n1cc(C(O)c2ccc(CCc3ccc(Cl)cc3)nc2F)c2cccnc21.CC(C)(C)[Si](C)(C)n1cc(I)c2cccnc21.Fc1nc(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.O=Cc1ccc(CCc2ccc(Cl)cc2)nc1F.

What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is NTWPQSUQKPUCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN3OSi.C21H17ClFN3.C14H11ClFNO.C13H19IN2Si/c1-27(2,3)34(4,5)32-17-23(21-7-6-16-30-26(21)32)24(33)22-15-14-20(31-25(22)29)13-10-18-8-11-19(28)12-9-18;22-17-7-3-14(4-8-17)5-9-18-10-6-15(20(23)26-18)12-16-13-25-21-19(16)2-1-11-24-21;15-12-5-1-10(2-6-12)3-7-13-8-4-11(9-18)14(16)17-13;1-13(2,3)17(4,5)16-9-11(14)10-7-6-8-15-12(10)16/h6-9,11-12,14-17,24,33H,10,13H2,1-5H3;1-4,6-8,10-11,13H,5,9,12H2,(H,24,25);1-2,4-6,8-9H,3,7H2;6-9H,1-5H3.

What are the key properties of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

Where does this data come from?

All data for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methanol;tert-butyl-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;6-[2-(4-chlorophenyl)ethyl]-2-fluoropyridine-3-carbaldehyde;3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159883887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).