tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate

C17H21F3N4O2 — CID 97172660

IUPACtert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C17H21F3N4O2/c1-16(2,3)26-15(25)23-9-5-6-11(23)10-24-13-12(7-4-8-21-13)22-14(24)17(18,19)20/h4,7-8,11H,5-6,9-10H2,1-3H3/t11-/m1/s1
InChIKeyJTPIUPGIEKMWFM-LLVKDONJSA-N
MW370.38 g/mol
LogP3.85
Rot. Bonds2

About tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 97172660) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID97172660
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Nametert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C17H21F3N4O2/c1-16(2,3)26-15(25)23-9-5-6-11(23)10-24-13-12(7-4-8-21-13)22-14(24)17(18,19)20/h4,7-8,11H,5-6,9-10H2,1-3H3/t11-/m1/s1
InChIKeyJTPIUPGIEKMWFM-LLVKDONJSA-N
XLogP3.85
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-[[2-(chloromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97172663
tert-butyl 2-(1H-benzimidazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631416
tert-butyl (2S)-2-[[2-(chloromethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97173405
benzyl (2R)-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97168524
tert-butyl 2-[[(2-methyl-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 106634097
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237
benzyl 2-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 71646548
benzyl (2S)-2-[(2-acetylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxylate
CID 97170831
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172694
tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631412
tert-butyl (2S)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177764
tert-butyl (2R)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177765

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate (CID 97172660) is tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)nc2cccnc21.
What is the InChIKey of tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is JTPIUPGIEKMWFM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-16(2,3)26-15(25)23-9-5-6-11(23)10-24-13-12(7-4-8-21-13)22-14(24)17(18,19)20/h4,7-8,11H,5-6,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 370.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97172660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).