(4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H15F3N4O — CID 169164064

IUPAC(4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)nc1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)13-5-6-17(24-10-13)27-8-7-14-18(26-11-25-14)19(27)16-9-12-3-1-2-4-15(12)28-16/h1-6,9-11,19H,7-8H2,(H,25,26)/t19-/m0/s1
InChIKeyWPQNXVSFGNJTFN-IBGZPJMESA-N
MW384.36 g/mol
LogP4.72
Rot. Bonds2

About (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 169164064) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID169164064
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name(4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)nc1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)13-5-6-17(24-10-13)27-8-7-14-18(26-11-25-14)19(27)16-9-12-3-1-2-4-15(12)28-16/h1-6,9-11,19H,7-8H2,(H,25,26)/t19-/m0/s1
InChIKeyWPQNXVSFGNJTFN-IBGZPJMESA-N
XLogP4.72
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 169163865
2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole
CID 169164254
(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 169165758
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
(4R)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 170196870
4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 170332981
(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95212685
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-dimethylpentan-1-one
CID 169164212
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297484
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one
CID 169164484
[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169164383

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 169164064) is (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)c1ccc(N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)nc1.
What is the InChIKey of (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is WPQNXVSFGNJTFN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-20(22,23)13-5-6-17(24-10-13)27-8-7-14-18(26-11-25-14)19(27)16-9-12-3-1-2-4-15(12)28-16/h1-6,9-11,19H,7-8H2,(H,25,26)/t19-/m0/s1.
What are the key properties of (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 384.36 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzofuran-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 169164064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).