6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide

C23H33N5O2 — CID 67461504

IUPAC6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide
SMILESCN(CC1CC1)C(=O)c1cncc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)n1
InChIInChI=1S/C23H33N5O2/c1-23(2,3)22-26-20(15-28(22)14-17-7-9-30-10-8-17)18-11-24-12-19(25-18)21(29)27(4)13-16-5-6-16/h11-12,15-17H,5-10,13-14H2,1-4H3
InChIKeyJJFIXPMQDAFWQW-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.55
Rot. Bonds6

About 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide

6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide (PubChem CID 67461504) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide
PubChem CID67461504
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide
SMILESCN(CC1CC1)C(=O)c1cncc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)n1
InChIInChI=1S/C23H33N5O2/c1-23(2,3)22-26-20(15-28(22)14-17-7-9-30-10-8-17)18-11-24-12-19(25-18)21(29)27(4)13-16-5-6-16/h11-12,15-17H,5-10,13-14H2,1-4H3
InChIKeyJJFIXPMQDAFWQW-UHFFFAOYSA-N
XLogP3.55
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide (CID 67461504) is 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide is CN(CC1CC1)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-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide?
The InChIKey is JJFIXPMQDAFWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-23(2,3)22-26-20(15-28(22)14-17-7-9-30-10-8-17)18-11-24-12-19(25-18)21(29)27(4)13-16-5-6-16/h11-12,15-17H,5-10,13-14H2,1-4H3.
What are the key properties of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide?
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 67461504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).