N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide

C15H13F4N3O — CID 166476002

IUPACN-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC23CC(F)(C2)C3)cc2ccnc(C(F)(F)F)c21
InChIInChI=1S/C15H13F4N3O/c1-22-9(12(23)21-14-5-13(16,6-14)7-14)4-8-2-3-20-11(10(8)22)15(17,18)19/h2-4H,5-7H2,1H3,(H,21,23)
InChIKeySHXIWHCEGAYVEW-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.97
Rot. Bonds2

About N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide

N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 166476002) has the molecular formula C15H13F4N3O and a molecular weight of 327.28 g/mol. Its IUPAC name is N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID166476002
Molecular FormulaC15H13F4N3O
Molecular Weight327.28 g/mol
Exact Mass327.10
IUPAC NameN-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC23CC(F)(C2)C3)cc2ccnc(C(F)(F)F)c21
InChIInChI=1S/C15H13F4N3O/c1-22-9(12(23)21-14-5-13(16,6-14)7-14)4-8-2-3-20-11(10(8)22)15(17,18)19/h2-4H,5-7H2,1H3,(H,21,23)
InChIKeySHXIWHCEGAYVEW-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide (CID 166476002) is N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1c(C(=O)NC23CC(F)(C2)C3)cc2ccnc(C(F)(F)F)c21.
What is the InChIKey of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SHXIWHCEGAYVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O/c1-22-9(12(23)21-14-5-13(16,6-14)7-14)4-8-2-3-20-11(10(8)22)15(17,18)19/h2-4H,5-7H2,1H3,(H,21,23).
What are the key properties of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide?
N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 327.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1-methyl-7-(trifluoromethyl)pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166476002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).