6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C20H18F6N6O2 — CID 161051478

IUPAC6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1.NCc1ccc2c(N)nc(C(F)(F)F)n2c1
InChIInChI=1S/C11H9F3N2O2.C9H9F3N4/c1-2-6-3-4-7-8(9(17)18)15-10(11(12,13)14)16(7)5-6;10-9(11,12)8-15-7(14)6-2-1-5(3-13)4-16(6)8/h3-5H,2H2,1H3,(H,17,18);1-2,4H,3,13-14H2
InChIKeyUCERNQWREKXKSG-UHFFFAOYSA-N
MW488.39 g/mol
LogP4.01
Rot. Bonds3

About 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 161051478) has the molecular formula C20H18F6N6O2 and a molecular weight of 488.39 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID161051478
Molecular FormulaC20H18F6N6O2
Molecular Weight488.39 g/mol
Exact Mass488.14
IUPAC Name6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1.NCc1ccc2c(N)nc(C(F)(F)F)n2c1
InChIInChI=1S/C11H9F3N2O2.C9H9F3N4/c1-2-6-3-4-7-8(9(17)18)15-10(11(12,13)14)16(7)5-6;10-9(11,12)8-15-7(14)6-2-1-5(3-13)4-16(6)8/h3-5H,2H2,1H3,(H,17,18);1-2,4H,3,13-14H2
InChIKeyUCERNQWREKXKSG-UHFFFAOYSA-N
XLogP4.01
TPSA123.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.39
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US10087188, Example 26
CID 121455605
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
(R)-4-((1-cyclobutylethyl)amino)-2-(4-isopropylpyridin-2-yl)-7-methyl-3-(4-(trifluoromethyl)benzyl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 86724466
4-[[(1R)-1-cyclobutylethyl]amino]-2-(4-propan-2-ylpyridin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90235975
US10087188, Example 25
CID 121455658
US10087188, Example 29
CID 121455807
US10087188, Example 27
CID 121455844
(S)-4-(3-(1-(but-2-ynoyl) pyrrolidin-2-yl)-8-(hydroxymethyl)imidazo [1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl) pyridin-2-yl)benzamide
CID 135338507
(S)-4-(8-(hydroxymethyl)-3-(1-(prop-1-yn-1-yl) pyrrolidin-2-yl)imidazo [1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl) pyridin-2-yl)benzamide
CID 139465887
US11186579, Example 14
CID 146341411
4-[[3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid
CID 134205590
2-[4-[[3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]phenyl]acetic acid
CID 134220521

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 161051478) is 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CCc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1.NCc1ccc2c(N)nc(C(F)(F)F)n2c1.
What is the InChIKey of 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is UCERNQWREKXKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2.C9H9F3N4/c1-2-6-3-4-7-8(9(17)18)15-10(11(12,13)14)16(7)5-6;10-9(11,12)8-15-7(14)6-2-1-5(3-13)4-16(6)8/h3-5H,2H2,1H3,(H,17,18);1-2,4H,3,13-14H2.
What are the key properties of 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 488.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 161051478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).