[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

C24H16F2N6O2 — CID 176863059

IUPAC[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
SMILESO=C(c1nnc(-c2c(F)cccc2F)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C24H16F2N6O2/c25-15-6-3-7-16(26)19(15)22-30-31-23(34-22)24(33)32-9-8-17-20(29-12-28-17)21(32)18-10-13-4-1-2-5-14(13)11-27-18/h1-7,10-12,21H,8-9H2,(H,28,29)/t21-/m1/s1
InChIKeyPZEAANLENNKNGN-OAQYLSRUSA-N
MW458.43 g/mol
LogP4.07
Rot. Bonds3

About [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

[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 (PubChem CID 176863059) has the molecular formula C24H16F2N6O2 and a molecular weight of 458.43 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID176863059
Molecular FormulaC24H16F2N6O2
Molecular Weight458.43 g/mol
Exact Mass458.13
IUPAC Name[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
SMILESO=C(c1nnc(-c2c(F)cccc2F)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C24H16F2N6O2/c25-15-6-3-7-16(26)19(15)22-30-31-23(34-22)24(33)32-9-8-17-20(29-12-28-17)21(32)18-10-13-4-1-2-5-14(13)11-27-18/h1-7,10-12,21H,8-9H2,(H,28,29)/t21-/m1/s1
InChIKeyPZEAANLENNKNGN-OAQYLSRUSA-N
XLogP4.07
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Related Compounds

[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
[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166458
[(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
[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-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
[(4R)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169165161
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 177297620
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 177297408
[(4R)-4-(7-fluoropyrazolo[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 169165482
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
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(4-methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 174213735
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297466

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(c1nnc(-c2c(F)cccc2F)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1.
What is the InChIKey of [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?
The InChIKey is PZEAANLENNKNGN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H16F2N6O2/c25-15-6-3-7-16(26)19(15)22-30-31-23(34-22)24(33)32-9-8-17-20(29-12-28-17)21(32)18-10-13-4-1-2-5-14(13)11-27-18/h1-7,10-12,21H,8-9H2,(H,28,29)/t21-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 458.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 176863059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).