2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid

C14H13F3N4O2 — CID 67286754

IUPAC2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid
SMILESCc1nc(N2CCn3cc(C(F)(F)F)nc3C2)ccc1C(=O)O
InChIInChI=1S/C14H13F3N4O2/c1-8-9(13(22)23)2-3-11(18-8)21-5-4-20-6-10(14(15,16)17)19-12(20)7-21/h2-3,6H,4-5,7H2,1H3,(H,22,23)
InChIKeyXKYZPWJPAAYDDP-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.32
Rot. Bonds2

About 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid

2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid (PubChem CID 67286754) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid
PubChem CID67286754
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid
SMILESCc1nc(N2CCn3cc(C(F)(F)F)nc3C2)ccc1C(=O)O
InChIInChI=1S/C14H13F3N4O2/c1-8-9(13(22)23)2-3-11(18-8)21-5-4-20-6-10(14(15,16)17)19-12(20)7-21/h2-3,6H,4-5,7H2,1H3,(H,22,23)
InChIKeyXKYZPWJPAAYDDP-UHFFFAOYSA-N
XLogP2.32
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid (CID 67286754) is 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid is Cc1nc(N2CCn3cc(C(F)(F)F)nc3C2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid?
The InChIKey is XKYZPWJPAAYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8-9(13(22)23)2-3-11(18-8)21-5-4-20-6-10(14(15,16)17)19-12(20)7-21/h2-3,6H,4-5,7H2,1H3,(H,22,23).
What are the key properties of 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid?
2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid has a molecular weight of 326.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67286754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).