2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid

C23H20F3N5O3 — CID 166079619

IUPAC2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(C(=O)O)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C23H20F3N5O3/c1-29-12-27-28-20(29)19(13-4-2-5-13)14-6-3-7-16(8-14)30-11-18-17(23(24,25)26)9-15(21(32)33)10-31(18)22(30)34/h3,6-13,19H,2,4-5H2,1H3,(H,32,33)/t19-/m1/s1
InChIKeyPRQOFXNXEZELDO-LJQANCHMSA-N
MW471.44 g/mol
LogP3.87
Rot. Bonds5

About 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 166079619) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID166079619
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Name2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(C(=O)O)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C23H20F3N5O3/c1-29-12-27-28-20(29)19(13-4-2-5-13)14-6-3-7-16(8-14)30-11-18-17(23(24,25)26)9-15(21(32)33)10-31(18)22(30)34/h3,6-13,19H,2,4-5H2,1H3,(H,32,33)/t19-/m1/s1
InChIKeyPRQOFXNXEZELDO-LJQANCHMSA-N
XLogP3.87
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 166079619) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid is Cn1cnnc1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(C(=O)O)cn3c2=O)c1)C1CCC1.
What is the InChIKey of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is PRQOFXNXEZELDO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-29-12-27-28-20(29)19(13-4-2-5-13)14-6-3-7-16(8-14)30-11-18-17(23(24,25)26)9-15(21(32)33)10-31(18)22(30)34/h3,6-13,19H,2,4-5H2,1H3,(H,32,33)/t19-/m1/s1.
What are the key properties of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 471.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 166079619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).