N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen

C15H17F2N5O — CID 166481517

IUPACN-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESO=C(NC1CC2(C1)CC(F)(F)C2)c1cncc(-n2ccnc2)n1.[H][H]
InChIInChI=1S/C15H15F2N5O.H2/c16-15(17)7-14(8-15)3-10(4-14)20-13(23)11-5-19-6-12(21-11)22-2-1-18-9-22;/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,23);1H
InChIKeyCQNHXRDWFCAUGF-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.22
Rot. Bonds3

About N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen

N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 166481517) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID166481517
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC NameN-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESO=C(NC1CC2(C1)CC(F)(F)C2)c1cncc(-n2ccnc2)n1.[H][H]
InChIInChI=1S/C15H15F2N5O.H2/c16-15(17)7-14(8-15)3-10(4-14)20-13(23)11-5-19-6-12(21-11)22-2-1-18-9-22;/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,23);1H
InChIKeyCQNHXRDWFCAUGF-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen (CID 166481517) is N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen is O=C(NC1CC2(C1)CC(F)(F)C2)c1cncc(-n2ccnc2)n1.[H][H].
What is the InChIKey of N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is CQNHXRDWFCAUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O.H2/c16-15(17)7-14(8-15)3-10(4-14)20-13(23)11-5-19-6-12(21-11)22-2-1-18-9-22;/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,23);1H.
What are the key properties of N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen?
N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 321.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-imidazol-1-ylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 166481517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).