N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide

C16H17F2N5O — CID 166481092

IUPACN-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide
SMILESCn1cncc1-c1cncc(C(=O)NC2CC3(C2)CC(F)(F)C3)n1
InChIInChI=1S/C16H17F2N5O/c1-23-9-20-6-13(23)11-4-19-5-12(22-11)14(24)21-10-2-15(3-10)7-16(17,18)8-15/h4-6,9-10H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyUGMMBZBHQWFXCK-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.18
Rot. Bonds3

About N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide

N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide (PubChem CID 166481092) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide
PubChem CID166481092
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC NameN-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide
SMILESCn1cncc1-c1cncc(C(=O)NC2CC3(C2)CC(F)(F)C3)n1
InChIInChI=1S/C16H17F2N5O/c1-23-9-20-6-13(23)11-4-19-5-12(22-11)14(24)21-10-2-15(3-10)7-16(17,18)8-15/h4-6,9-10H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyUGMMBZBHQWFXCK-UHFFFAOYSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.18
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-(3-methylimidazol-4-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide (CID 166481092) is N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide is Cn1cncc1-c1cncc(C(=O)NC2CC3(C2)CC(F)(F)C3)n1.
What is the InChIKey of N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide?
The InChIKey is UGMMBZBHQWFXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O/c1-23-9-20-6-13(23)11-4-19-5-12(22-11)14(24)21-10-2-15(3-10)7-16(17,18)8-15/h4-6,9-10H,2-3,7-8H2,1H3,(H,21,24).
What are the key properties of N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide?
N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 2.18, 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-(3-methylimidazol-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166481092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).