N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide

C13H7F2N5O3 — CID 72721415

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnccn1
InChIInChI=1S/C13H7F2N5O3/c14-13(15)22-9-3-6-7(4-10(9)23-13)19-12(18-6)20-11(21)8-5-16-1-2-17-8/h1-5H,(H2,18,19,20,21)
InChIKeyQXKJJJDQNHWABG-UHFFFAOYSA-N
MW319.23 g/mol
LogP1.93
Rot. Bonds2

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide (PubChem CID 72721415) has the molecular formula C13H7F2N5O3 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide
PubChem CID72721415
Molecular FormulaC13H7F2N5O3
Molecular Weight319.23 g/mol
Exact Mass319.05
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnccn1
InChIInChI=1S/C13H7F2N5O3/c14-13(15)22-9-3-6-7(4-10(9)23-13)19-12(18-6)20-11(21)8-5-16-1-2-17-8/h1-5H,(H2,18,19,20,21)
InChIKeyQXKJJJDQNHWABG-UHFFFAOYSA-N
XLogP1.93
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide (CID 72721415) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cnccn1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide?
The InChIKey is QXKJJJDQNHWABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N5O3/c14-13(15)22-9-3-6-7(4-10(9)23-13)19-12(18-6)20-11(21)8-5-16-1-2-17-8/h1-5H,(H2,18,19,20,21).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide has a molecular weight of 319.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 72721415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).