7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide

C16H17ClFN3O — CID 166476027

IUPAC7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)n1c(C(=O)NC23CC(F)(C2)C3)cc2ccnc(Cl)c21
InChIInChI=1S/C16H17ClFN3O/c1-9(2)21-11(5-10-3-4-19-13(17)12(10)21)14(22)20-16-6-15(18,7-16)8-16/h3-5,9H,6-8H2,1-2H3,(H,20,22)
InChIKeyZPVPJQCLBGQKQY-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.64
Rot. Bonds3

About 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide

7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 166476027) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID166476027
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)n1c(C(=O)NC23CC(F)(C2)C3)cc2ccnc(Cl)c21
InChIInChI=1S/C16H17ClFN3O/c1-9(2)21-11(5-10-3-4-19-13(17)12(10)21)14(22)20-16-6-15(18,7-16)8-16/h3-5,9H,6-8H2,1-2H3,(H,20,22)
InChIKeyZPVPJQCLBGQKQY-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166476002
N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 166475878
7-chloro-3-ethyl-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175851318
7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476014
[5-[6-chloro-5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamic acid
CID 174218192
[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 166130425
N-(1-bicyclo[1.1.1]pentanyl)-4-propan-2-ylpyridine-2-carboxamide
CID 176590789
methyl 3-amino-2-chloropyridine-4-carboxylate;4-propan-2-ylmorpholine
CID 145012145
methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 84691442
2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
CID 84705243
tert-butyl 7-chloropyrrolo[2,3-c]pyridine-1-carboxylate
CID 155294375
1-N,3-N,5-N-tris(3,5,7-trimethyl-1-adamantyl)benzene-1,3,5-tricarboxamide
CID 171722690

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide (CID 166476027) is 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide is CC(C)n1c(C(=O)NC23CC(F)(C2)C3)cc2ccnc(Cl)c21.
What is the InChIKey of 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZPVPJQCLBGQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c1-9(2)21-11(5-10-3-4-19-13(17)12(10)21)14(22)20-16-6-15(18,7-16)8-16/h3-5,9H,6-8H2,1-2H3,(H,20,22).
What are the key properties of 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide?
7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 321.78 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166476027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).