3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide

C20H27N5O2 — CID 110632715

IUPAC3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2nc(C(C)(C)C)n3ccccc23)no1
InChIInChI=1S/C20H27N5O2/c1-19(2,3)17-23-15(13-9-7-8-12-25(13)17)16(26)21-11-10-14-22-18(27-24-14)20(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,21,26)
InChIKeyKMHVJTGIXISNFB-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.28
Rot. Bonds4

About 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide

3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110632715) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110632715
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2nc(C(C)(C)C)n3ccccc23)no1
InChIInChI=1S/C20H27N5O2/c1-19(2,3)17-23-15(13-9-7-8-12-25(13)17)16(26)21-11-10-14-22-18(27-24-14)20(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,21,26)
InChIKeyKMHVJTGIXISNFB-UHFFFAOYSA-N
XLogP3.28
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxybenzamide
CID 110294299
3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110625076
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethylbutanamide
CID 110294284
3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110631484
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110311138
3-tert-butyl-N-(2-piperidin-1-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110620585
1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
CID 90648306
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110632704
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 110632715) is 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide is CC(C)(C)c1nc(CCNC(=O)c2nc(C(C)(C)C)n3ccccc23)no1.
What is the InChIKey of 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KMHVJTGIXISNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-19(2,3)17-23-15(13-9-7-8-12-25(13)17)16(26)21-11-10-14-22-18(27-24-14)20(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,21,26).
What are the key properties of 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110632715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).