6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C24H31N5O2S — CID 67457775

IUPAC6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cncc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)n1
InChIInChI=1S/C24H31N5O2S/c1-24(2,3)23-27-21(16-29(23)14-17-7-9-31-10-8-17)19-12-25-13-20(26-19)22(30)28(4)15-18-6-5-11-32-18/h5-6,11-13,16-17H,7-10,14-15H2,1-4H3
InChIKeySOAFZFTXLNLNIB-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.40
Rot. Bonds6

About 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 67457775) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID67457775
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cncc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)n1
InChIInChI=1S/C24H31N5O2S/c1-24(2,3)23-27-21(16-29(23)14-17-7-9-31-10-8-17)19-12-25-13-20(26-19)22(30)28(4)15-18-6-5-11-32-18/h5-6,11-13,16-17H,7-10,14-15H2,1-4H3
InChIKeySOAFZFTXLNLNIB-UHFFFAOYSA-N
XLogP4.40
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 67457775) is 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is CN(Cc1cccs1)C(=O)c1cncc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)n1.
What is the InChIKey of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is SOAFZFTXLNLNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-24(2,3)23-27-21(16-29(23)14-17-7-9-31-10-8-17)19-12-25-13-20(26-19)22(30)28(4)15-18-6-5-11-32-18/h5-6,11-13,16-17H,7-10,14-15H2,1-4H3.
What are the key properties of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 67457775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).