tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate

C34H40F3N5O4 — CID 171752960

IUPACtert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate
SMILESCc1cn(C(=O)OC(C)(C)C)nc1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCO[C@H](C)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C34H40F3N5O4/c1-21-16-42(32(44)46-33(3,4)5)38-30(21)29(24-8-6-9-24)25-10-7-11-26(15-25)40-20-28-27(34(35,36)37)14-23(19-41(28)31(40)43)18-39-12-13-45-22(2)17-39/h7,10-11,14-16,19-20,22,24,29H,6,8-9,12-13,17-18H2,1-5H3/t22-,29?/m1/s1
InChIKeyFMSOCHFTSFKNJN-DMDVIOLWSA-N
MW639.72 g/mol
LogP6.55
Rot. Bonds6

About tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate

tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate (PubChem CID 171752960) has the molecular formula C34H40F3N5O4 and a molecular weight of 639.72 g/mol. Its IUPAC name is tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate
PubChem CID171752960
Molecular FormulaC34H40F3N5O4
Molecular Weight639.72 g/mol
Exact Mass639.30
IUPAC Nametert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate
SMILESCc1cn(C(=O)OC(C)(C)C)nc1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCO[C@H](C)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C34H40F3N5O4/c1-21-16-42(32(44)46-33(3,4)5)38-30(21)29(24-8-6-9-24)25-10-7-11-26(15-25)40-20-28-27(34(35,36)37)14-23(19-41(28)31(40)43)18-39-12-13-45-22(2)17-39/h7,10-11,14-16,19-20,22,24,29H,6,8-9,12-13,17-18H2,1-5H3/t22-,29?/m1/s1
InChIKeyFMSOCHFTSFKNJN-DMDVIOLWSA-N
XLogP6.55
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.72
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080031
2-[3-[cyclobutyl-(5-methyl-1,3-thiazol-4-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753041
CID 178155775
CID 178155775
2-[3-[(S)-cyclobutyl-(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080073
2-[3-[(R)-cyclobutyl-(1-methylimidazol-2-yl)methyl]phenyl]-6-[[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753351
2-[3-[cyclobutyl(1,3,4-thiadiazol-2-yl)methyl]phenyl]-6-[[(3S,4R)-3,4-dimethylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 174023401
CID 166080332
CID 166080332
tert-butyl 3-[cyclobutyl-[3-[[5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)-2-pyridinyl]methylamino]phenyl]methyl]-4-methylpyrazole-1-carboxylate
CID 171753766
6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080192
CID 178155957
CID 178155957
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(3,3-difluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080412
2-[cyclobutyl-[3-[6-[[(3R)-3-methyl-4-sulfanylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-1,3-thiazole-4-carbonitrile
CID 166078967

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate (CID 171752960) is tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate is Cc1cn(C(=O)OC(C)(C)C)nc1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCO[C@H](C)C4)cn3c2=O)c1)C1CCC1.
What is the InChIKey of tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate?
The InChIKey is FMSOCHFTSFKNJN-DMDVIOLWSA-N. The full InChI is InChI=1S/C34H40F3N5O4/c1-21-16-42(32(44)46-33(3,4)5)38-30(21)29(24-8-6-9-24)25-10-7-11-26(15-25)40-20-28-27(34(35,36)37)14-23(19-41(28)31(40)43)18-39-12-13-45-22(2)17-39/h7,10-11,14-16,19-20,22,24,29H,6,8-9,12-13,17-18H2,1-5H3/t22-,29?/m1/s1.
What are the key properties of tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate?
tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate has a molecular weight of 639.72 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[cyclobutyl-[3-[6-[[(2R)-2-methylmorpholin-4-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]phenyl]methyl]-4-methylpyrazole-1-carboxylate is sourced from PubChem (CID 171752960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).