[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C67H79Cl2IN8O6Si2 — CID 157287453

IUPAC[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cccnc21.COc1cc(C(=O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1.COc1cc(C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)ncc1OCc1ccc(Cl)cc1
InChIInChI=1S/C30H38ClN3O3Si.C21H16ClN3O3.C16H25IN2Si/c1-19(2)38(20(3)4,21(5)6)34-17-25(24-9-8-14-32-30(24)34)29(35)26-15-27(36-7)28(16-33-26)37-18-22-10-12-23(31)13-11-22;1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13;1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h8-17,19-21,29,35H,18H2,1-7H3;2-11H,12H2,1H3,(H,23,25);7-13H,1-6H3
InChIKeyBAKBQQIGICUDIQ-UHFFFAOYSA-N
MW1346.40 g/mol
LogP17.87
Rot. Bonds20

About [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 157287453) has the molecular formula C67H79Cl2IN8O6Si2 and a molecular weight of 1346.40 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID157287453
Molecular FormulaC67H79Cl2IN8O6Si2
Molecular Weight1346.40 g/mol
Exact Mass1344.41
IUPAC Name[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cccnc21.COc1cc(C(=O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1.COc1cc(C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)ncc1OCc1ccc(Cl)cc1
InChIInChI=1S/C30H38ClN3O3Si.C21H16ClN3O3.C16H25IN2Si/c1-19(2)38(20(3)4,21(5)6)34-17-25(24-9-8-14-32-30(24)34)29(35)26-15-27(36-7)28(16-33-26)37-18-22-10-12-23(31)13-11-22;1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13;1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h8-17,19-21,29,35H,18H2,1-7H3;2-11H,12H2,1H3,(H,23,25);7-13H,1-6H3
InChIKeyBAKBQQIGICUDIQ-UHFFFAOYSA-N
XLogP17.87
TPSA164.32 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.40
LogP ≤ 517.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[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 [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 157287453) is [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cccnc21.COc1cc(C(=O)c2c[nH]c3ncccc23)ncc1OCc1ccc(Cl)cc1.COc1cc(C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)ncc1OCc1ccc(Cl)cc1.
What is the InChIKey of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is BAKBQQIGICUDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN3O3Si.C21H16ClN3O3.C16H25IN2Si/c1-19(2)38(20(3)4,21(5)6)34-17-25(24-9-8-14-32-30(24)34)29(35)26-15-27(36-7)28(16-33-26)37-18-22-10-12-23(31)13-11-22;1-27-18-9-17(20(26)16-10-25-21-15(16)3-2-8-23-21)24-11-19(18)28-12-13-4-6-14(22)7-5-13;1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h8-17,19-21,29,35H,18H2,1-7H3;2-11H,12H2,1H3,(H,23,25);7-13H,1-6H3.
What are the key properties of [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 1346.40 g/mol, XLogP of 17.87, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[5-[(4-chlorophenyl)methoxy]-4-methoxy-2-pyridinyl]-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 157287453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).