1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine

C46H59F3N10 — CID 159843827

IUPAC1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)n2ccccc12.Cc1cnc2c(C(C)(C)C)ncn2c1.Cc1nc(C(C)(C)C)c2ccccn12.Cc1nc(C(C)(C)C)c2ncccn12
InChIInChI=1S/C12H13F3N2.C12H16N2.2C11H15N3/c1-11(2,3)9-8-6-4-5-7-17(8)10(16-9)12(13,14)15;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-8-5-12-10-9(11(2,3)4)13-7-14(10)6-8;1-8-13-9(11(2,3)4)10-12-6-5-7-14(8)10/h4-7H,1-3H3;5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyNPAMVJPUUALYRM-UHFFFAOYSA-N
MW809.04 g/mol
LogP11.26
Rot. Bonds

About 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine

1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine (PubChem CID 159843827) has the molecular formula C46H59F3N10 and a molecular weight of 809.04 g/mol. Its IUPAC name is 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine
PubChem CID159843827
Molecular FormulaC46H59F3N10
Molecular Weight809.04 g/mol
Exact Mass808.49
IUPAC Name1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)n2ccccc12.Cc1cnc2c(C(C)(C)C)ncn2c1.Cc1nc(C(C)(C)C)c2ccccn12.Cc1nc(C(C)(C)C)c2ncccn12
InChIInChI=1S/C12H13F3N2.C12H16N2.2C11H15N3/c1-11(2,3)9-8-6-4-5-7-17(8)10(16-9)12(13,14)15;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-8-5-12-10-9(11(2,3)4)13-7-14(10)6-8;1-8-13-9(11(2,3)4)10-12-6-5-7-14(8)10/h4-7H,1-3H3;5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyNPAMVJPUUALYRM-UHFFFAOYSA-N
XLogP11.26
TPSA94.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.04
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine with MolForge

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
US11420970, Example 198
CID 156073186
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-[7-(2-Dimethylamino-1,1-dimethylethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 11741968
4-[2-(2,4-Difluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 23727894
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pyridin-2-ylamine
CID 24745530
8-(4,4-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299870
3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
CID 122688198
2-methyl-1-(8-(2-(4-phenyl-1-(pyrimidin-2-yl)piperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzo[d]imidazole
CID 44573097
4-{2-(4-Fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-ylamine
CID 24884688

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine (CID 159843827) is 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine is CC(C)(C)c1nc(C(F)(F)F)n2ccccc12.Cc1cnc2c(C(C)(C)C)ncn2c1.Cc1nc(C(C)(C)C)c2ccccn12.Cc1nc(C(C)(C)C)c2ncccn12.
What is the InChIKey of 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The InChIKey is NPAMVJPUUALYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2.C12H16N2.2C11H15N3/c1-11(2,3)9-8-6-4-5-7-17(8)10(16-9)12(13,14)15;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-8-5-12-10-9(11(2,3)4)13-7-14(10)6-8;1-8-13-9(11(2,3)4)10-12-6-5-7-14(8)10/h4-7H,1-3H3;5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine has a molecular weight of 809.04 g/mol, XLogP of 11.26, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylimidazo[1,5-a]pyridine;8-tert-butyl-3-methylimidazo[1,5-a]pyrimidine;8-tert-butyl-6-methylimidazo[1,5-a]pyrimidine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 159843827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).