methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate

C24H22F3N3O3 — CID 155390857

IUPACmethyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate
SMILESCOC(=O)CC12CC(NC(=O)c3ncn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)C2
InChIInChI=1S/C24H22F3N3O3/c1-33-18(31)10-22-11-23(12-22,13-22)29-21(32)19-20-16(3-2-8-30(20)14-28-19)9-15-4-6-17(7-5-15)24(25,26)27/h2-8,14H,9-13H2,1H3,(H,29,32)
InChIKeyIQVOWUWTVMZLCV-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.16
Rot. Bonds6

About methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate

methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate (PubChem CID 155390857) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate
PubChem CID155390857
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Namemethyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate
SMILESCOC(=O)CC12CC(NC(=O)c3ncn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)C2
InChIInChI=1S/C24H22F3N3O3/c1-33-18(31)10-22-11-23(12-22,13-22)29-21(32)19-20-16(3-2-8-30(20)14-28-19)9-15-4-6-17(7-5-15)24(25,26)27/h2-8,14H,9-13H2,1H3,(H,29,32)
InChIKeyIQVOWUWTVMZLCV-UHFFFAOYSA-N
XLogP4.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate with MolForge

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Related Compounds

methane;methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate;methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate;8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 167599489
N-[(1S)-1-(4-methylphenyl)ethyl]-8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 167695911
2-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 155390715
[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-1-yl]methanediol
CID 162620480
[(1S)-1-phenylethyl] 4-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 155402670
N-[1-(4-methylphenyl)cyclopropyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 167654697
methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 155402700
1-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 155391288
2-[3-[[hydroxy-[4-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazol-3-yl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]acetic acid
CID 158514471
4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 155402746
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55739146
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate?
The IUPAC name of methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate (CID 155390857) is methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate.
What is the SMILES notation for methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate?
The canonical SMILES for methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate is COC(=O)CC12CC(NC(=O)c3ncn4cccc(Cc5ccc(C(F)(F)F)cc5)c34)(C1)C2.
What is the InChIKey of methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate?
The InChIKey is IQVOWUWTVMZLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-33-18(31)10-22-11-23(12-22,13-22)29-21(32)19-20-16(3-2-8-30(20)14-28-19)9-15-4-6-17(7-5-15)24(25,26)27/h2-8,14H,9-13H2,1H3,(H,29,32).
What are the key properties of methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate?
methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate has a molecular weight of 457.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]acetate is sourced from PubChem (CID 155390857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).