3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

C22H27N3O3 — CID 110629556

IUPAC3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)c2nc(C(C)(C)C)n3ccccc23)c1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)21-23-19(17-11-6-7-12-25(17)21)20(27)24(4)14-18(26)15-9-8-10-16(13-15)28-5/h6-13,18,26H,14H2,1-5H3
InChIKeyTWDPZNJUGJEJHU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.45
Rot. Bonds5

About 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110629556) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110629556
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)c2nc(C(C)(C)C)n3ccccc23)c1
InChIInChI=1S/C22H27N3O3/c1-22(2,3)21-23-19(17-11-6-7-12-25(17)21)20(27)24(4)14-18(26)15-9-8-10-16(13-15)28-5/h6-13,18,26H,14H2,1-5H3
InChIKeyTWDPZNJUGJEJHU-UHFFFAOYSA-N
XLogP3.45
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide
CID 110629557
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
CID 110629527
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110308725
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110290964
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110629576
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
(E)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,2-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 110308754
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110629519
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
2,3,4-trifluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-nitrobenzamide
CID 110313641

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 110629556) is 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is COc1cccc(C(O)CN(C)C(=O)c2nc(C(C)(C)C)n3ccccc23)c1.
What is the InChIKey of 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is TWDPZNJUGJEJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)21-23-19(17-11-6-7-12-25(17)21)20(27)24(4)14-18(26)15-9-8-10-16(13-15)28-5/h6-13,18,26H,14H2,1-5H3.
What are the key properties of 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110629556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).