N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C15H17F2N5OS — CID 133139671

IUPACN-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CN(Cc2nccs2)Cc2cncn21
InChIInChI=1S/C15H17F2N5OS/c16-15(17)3-10(4-15)20-14(23)12-7-21(8-13-19-1-2-24-13)6-11-5-18-9-22(11)12/h1-2,5,9-10,12H,3-4,6-8H2,(H,20,23)
InChIKeySYORHCBQJXYULU-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.81
Rot. Bonds4

About N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 133139671) has the molecular formula C15H17F2N5OS and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID133139671
Molecular FormulaC15H17F2N5OS
Molecular Weight353.40 g/mol
Exact Mass353.11
IUPAC NameN-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NC1CC(F)(F)C1)C1CN(Cc2nccs2)Cc2cncn21
InChIInChI=1S/C15H17F2N5OS/c16-15(17)3-10(4-15)20-14(23)12-7-21(8-13-19-1-2-24-13)6-11-5-18-9-22(11)12/h1-2,5,9-10,12H,3-4,6-8H2,(H,20,23)
InChIKeySYORHCBQJXYULU-UHFFFAOYSA-N
XLogP1.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 133139671) is N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is O=C(NC1CC(F)(F)C1)C1CN(Cc2nccs2)Cc2cncn21.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SYORHCBQJXYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5OS/c16-15(17)3-10(4-15)20-14(23)12-7-21(8-13-19-1-2-24-13)6-11-5-18-9-22(11)12/h1-2,5,9-10,12H,3-4,6-8H2,(H,20,23).
What are the key properties of N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 133139671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).