1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]

C19H17F3N4O — CID 162578377

IUPAC1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFC(F)(F)c1cnc2nc(N3CCC4(CC3)OCc3ccccc34)[nH]c2c1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)13-9-15-16(23-10-13)25-17(24-15)26-7-5-18(6-8-26)14-4-2-1-3-12(14)11-27-18/h1-4,9-10H,5-8,11H2,(H,23,24,25)
InChIKeyOTBHZSCPFVVBND-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.00
Rot. Bonds1

About 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]

1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 162578377) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID162578377
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFC(F)(F)c1cnc2nc(N3CCC4(CC3)OCc3ccccc34)[nH]c2c1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)13-9-15-16(23-10-13)25-17(24-15)26-7-5-18(6-8-26)14-4-2-1-3-12(14)11-27-18/h1-4,9-10H,5-8,11H2,(H,23,24,25)
InChIKeyOTBHZSCPFVVBND-UHFFFAOYSA-N
XLogP4.00
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
CID 10149857
CID 11225369
CID 11225369
1'-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 56602861
1'-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 56603412
CID 60026377
CID 60026377
2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)morpholine
CID 137634287
1-cyclopropyl-1'-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 137635550
4-phenyl-8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 137655891
3-Methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168271259
2-[[4-[[3-(Trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 168275089
1-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine
CID 168275515
3-[[4-[(3,4-Difluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168275717

Frequently Asked Questions

What is the IUPAC name of 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 162578377) is 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine] is FC(F)(F)c1cnc2nc(N3CCC4(CC3)OCc3ccccc34)[nH]c2c1.
What is the InChIKey of 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is OTBHZSCPFVVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)13-9-15-16(23-10-13)25-17(24-15)26-7-5-18(6-8-26)14-4-2-1-3-12(14)11-27-18/h1-4,9-10H,5-8,11H2,(H,23,24,25).
What are the key properties of 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 374.37 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 162578377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).