3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

C21H18F2N6O2 — CID 169166856

IUPAC3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESO=C(CCc1nnc(C(F)F)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C21H18F2N6O2/c22-20(23)21-28-27-16(31-21)5-6-17(30)29-8-7-14-18(26-11-25-14)19(29)15-9-12-3-1-2-4-13(12)10-24-15/h1-4,9-11,19-20H,5-8H2,(H,25,26)/t19-/m1/s1
InChIKeyJRTFUFIPCKYXFO-LJQANCHMSA-N
MW424.41 g/mol
LogP3.39
Rot. Bonds5

About 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 169166856) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
PubChem CID169166856
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESO=C(CCc1nnc(C(F)F)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C21H18F2N6O2/c22-20(23)21-28-27-16(31-21)5-6-17(30)29-8-7-14-18(26-11-25-14)19(29)15-9-12-3-1-2-4-13(12)10-24-15/h1-4,9-11,19-20H,5-8H2,(H,25,26)/t19-/m1/s1
InChIKeyJRTFUFIPCKYXFO-LJQANCHMSA-N
XLogP3.39
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one 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

[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863069
[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863059
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863210
[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863064
1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 169166586
[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863180
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166929
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
CID 169166472
1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 169163614
[(4S)-4-cinnolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169166643
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
[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 170332960

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (CID 169166856) is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is O=C(CCc1nnc(C(F)F)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The InChIKey is JRTFUFIPCKYXFO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c22-20(23)21-28-27-16(31-21)5-6-17(30)29-8-7-14-18(26-11-25-14)19(29)15-9-12-3-1-2-4-13(12)10-24-15/h1-4,9-11,19-20H,5-8H2,(H,25,26)/t19-/m1/s1.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 424.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 169166856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).