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

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Related Compounds

6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 67456615
4-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 87407869
5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide
CID 67459280
3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 67457801
CID 59369483
CID 59369483
ethyl 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-1,2-oxazole-3-carboxylate
CID 67456293
2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
CID 87407652
2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
CID 67456732
N-methyl-6-(methylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63707262
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
CID 67456897
1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one
CID 67456859

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).