1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C99H109Br7F6N16O3Si3 — CID 162173571

IUPAC1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESBrc1ccnc2c1C=CC2.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)ccnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)ccnc21.Fc1c(Br)cnc2c1C=CC2.NC1=CCc2ncc(Br)c(F)c21.O=C(NC1=CCc2ncc(Br)c(F)c21)c1cnn(Cc2ccccc2)c1.O=[N+]([O-])C1=CCc2ncc(Br)c(F)c21
InChIInChI=1S/C19H14BrFN4O.C16H24BrFN2Si.C16H25BrN2Si.C16H25FN2Si.C8H4BrFN2O2.C8H6BrFN2.C8H5BrFN.C8H6BrN/c20-14-9-22-15-6-7-16(17(15)18(14)21)24-19(26)13-8-23-25(11-13)10-12-4-2-1-3-5-12;1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20;2*1-11(2)20(12(3)4,13(5)6)19-10-8-14-15(17)7-9-18-16(14)19;9-4-3-11-5-1-2-6(12(13)14)7(5)8(4)10;9-4-3-12-6-2-1-5(11)7(6)8(4)10;9-6-4-11-7-3-1-2-5(7)8(6)10;9-7-4-5-10-8-3-1-2-6(7)8/h1-5,7-9,11H,6,10H2,(H,24,26);7-12H,1-6H3;2*7-13H,1-6H3;2-3H,1H2;1,3H,2,11H2;1-2,4H,3H2;1-2,4-5H,3H2
InChIKeyZOCHTNUKKPECJZ-UHFFFAOYSA-N
MW2328.64 g/mol
LogP29.50
Rot. Bonds17

About 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 162173571) has the molecular formula C99H109Br7F6N16O3Si3 and a molecular weight of 2328.64 g/mol. Its IUPAC name is 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID162173571
Molecular FormulaC99H109Br7F6N16O3Si3
Molecular Weight2328.64 g/mol
Exact Mass2320.24
IUPAC Name1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESBrc1ccnc2c1C=CC2.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)ccnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)ccnc21.Fc1c(Br)cnc2c1C=CC2.NC1=CCc2ncc(Br)c(F)c21.O=C(NC1=CCc2ncc(Br)c(F)c21)c1cnn(Cc2ccccc2)c1.O=[N+]([O-])C1=CCc2ncc(Br)c(F)c21
InChIInChI=1S/C19H14BrFN4O.C16H24BrFN2Si.C16H25BrN2Si.C16H25FN2Si.C8H4BrFN2O2.C8H6BrFN2.C8H5BrFN.C8H6BrN/c20-14-9-22-15-6-7-16(17(15)18(14)21)24-19(26)13-8-23-25(11-13)10-12-4-2-1-3-5-12;1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20;2*1-11(2)20(12(3)4,13(5)6)19-10-8-14-15(17)7-9-18-16(14)19;9-4-3-11-5-1-2-6(12(13)14)7(5)8(4)10;9-4-3-12-6-2-1-5(11)7(6)8(4)10;9-6-4-11-7-3-1-2-5(7)8(6)10;9-7-4-5-10-8-3-1-2-6(7)8/h1-5,7-9,11H,6,10H2,(H,24,26);7-12H,1-6H3;2*7-13H,1-6H3;2-3H,1H2;1,3H,2,11H2;1-2,4H,3H2;1-2,4-5H,3H2
InChIKeyZOCHTNUKKPECJZ-UHFFFAOYSA-N
XLogP29.50
TPSA233.99 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002328.64
LogP ≤ 529.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine
CID 158783984
1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;tert-butyl N-[(3R)-1-[5-[(1-benzylpyrazole-4-carbonyl)amino]-3-bromo-7H-cyclopenta[b]pyridin-4-yl]piperidin-3-yl]carbamate;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 159261798

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 162173571) is 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is Brc1ccnc2c1C=CC2.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Br)ccnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)ccnc21.Fc1c(Br)cnc2c1C=CC2.NC1=CCc2ncc(Br)c(F)c21.O=C(NC1=CCc2ncc(Br)c(F)c21)c1cnn(Cc2ccccc2)c1.O=[N+]([O-])C1=CCc2ncc(Br)c(F)c21.
What is the InChIKey of 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is ZOCHTNUKKPECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4O.C16H24BrFN2Si.C16H25BrN2Si.C16H25FN2Si.C8H4BrFN2O2.C8H6BrFN2.C8H5BrFN.C8H6BrN/c20-14-9-22-15-6-7-16(17(15)18(14)21)24-19(26)13-8-23-25(11-13)10-12-4-2-1-3-5-12;1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20;2*1-11(2)20(12(3)4,13(5)6)19-10-8-14-15(17)7-9-18-16(14)19;9-4-3-11-5-1-2-6(12(13)14)7(5)8(4)10;9-4-3-12-6-2-1-5(11)7(6)8(4)10;9-6-4-11-7-3-1-2-5(7)8(6)10;9-7-4-5-10-8-3-1-2-6(7)8/h1-5,7-9,11H,6,10H2,(H,24,26);7-12H,1-6H3;2*7-13H,1-6H3;2-3H,1H2;1,3H,2,11H2;1-2,4H,3H2;1-2,4-5H,3H2.
What are the key properties of 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 2328.64 g/mol, XLogP of 29.50, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;4-bromo-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridin-5-amine;3-bromo-4-fluoro-7H-cyclopenta[b]pyridine;3-bromo-4-fluoro-5-nitro-7H-cyclopenta[b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 162173571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).