N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

C14H13ClFN3O — CID 166475878

IUPACN-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
SMILESCn1c(NC(=O)C23CC(F)(C2)C3)cc2ccnc(Cl)c21
InChIInChI=1S/C14H13ClFN3O/c1-19-9(4-8-2-3-17-11(15)10(8)19)18-12(20)13-5-14(16,6-13)7-13/h2-4H,5-7H2,1H3,(H,18,20)
InChIKeyCSFJEIYOBBQLPJ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.06
Rot. Bonds2

About N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 166475878) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
PubChem CID166475878
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
SMILESCn1c(NC(=O)C23CC(F)(C2)C3)cc2ccnc(Cl)c21
InChIInChI=1S/C14H13ClFN3O/c1-19-9(4-8-2-3-17-11(15)10(8)19)18-12(20)13-5-14(16,6-13)7-13/h2-4H,5-7H2,1H3,(H,18,20)
InChIKeyCSFJEIYOBBQLPJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.06
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

7-chloro-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-propan-2-ylpyrrolo[2,3-c]pyridine-2-carboxamide
CID 166476027
2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
CID 84705243
7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476014
N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166476002
tert-butyl 7-chloropyrrolo[2,3-c]pyridine-1-carboxylate
CID 155294375
1-(1-chloroisoquinolin-6-yl)ethanone
CID 119018146
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
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476022
1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
CID 115040554
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
1-[(4-chlorophenyl)methyl]-N-(1-methylisoquinolin-6-yl)piperidine-4-carboxamide
CID 11646870
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde
CID 166475948

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 166475878) is N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is Cn1c(NC(=O)C23CC(F)(C2)C3)cc2ccnc(Cl)c21.
What is the InChIKey of N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is CSFJEIYOBBQLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-19-9(4-8-2-3-17-11(15)10(8)19)18-12(20)13-5-14(16,6-13)7-13/h2-4H,5-7H2,1H3,(H,18,20).
What are the key properties of N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 166475878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).