[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

C24H16F2N6O2 — CID 169166458

IUPAC[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
SMILESO=C(c1nnc(-c2c(F)cccc2F)o1)N1CCc2[nH]cnc2[C@@H]1c1ccc2ccccc2n1
InChIInChI=1S/C24H16F2N6O2/c25-14-5-3-6-15(26)19(14)22-30-31-23(34-22)24(33)32-11-10-17-20(28-12-27-17)21(32)18-9-8-13-4-1-2-7-16(13)29-18/h1-9,12,21H,10-11H2,(H,27,28)/t21-/m0/s1
InChIKeyUNBRENYBMDUKCW-NRFANRHFSA-N
MW458.43 g/mol
LogP4.07
Rot. Bonds3

About [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

[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 (PubChem CID 169166458) 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-quinolin-2-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-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169166458
Molecular FormulaC24H16F2N6O2
Molecular Weight458.43 g/mol
Exact Mass458.13
IUPAC Name[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
SMILESO=C(c1nnc(-c2c(F)cccc2F)o1)N1CCc2[nH]cnc2[C@@H]1c1ccc2ccccc2n1
InChIInChI=1S/C24H16F2N6O2/c25-14-5-3-6-15(26)19(14)22-30-31-23(34-22)24(33)32-11-10-17-20(28-12-27-17)21(32)18-9-8-13-4-1-2-7-16(13)29-18/h1-9,12,21H,10-11H2,(H,27,28)/t21-/m0/s1
InChIKeyUNBRENYBMDUKCW-NRFANRHFSA-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-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

[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-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166620
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166843
[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
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169167623
(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863140
[4-(difluoromethyl)-2-pyridin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863164
[(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
[2-(3,3-difluorocyclobutyl)-4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863156
[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863190
[5-(5-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863192
[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166797

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(c1nnc(-c2c(F)cccc2F)o1)N1CCc2[nH]cnc2[C@@H]1c1ccc2ccccc2n1.
What is the InChIKey of [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?
The InChIKey is UNBRENYBMDUKCW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H16F2N6O2/c25-14-5-3-6-15(26)19(14)22-30-31-23(34-22)24(33)32-11-10-17-20(28-12-27-17)21(32)18-9-8-13-4-1-2-7-16(13)29-18/h1-9,12,21H,10-11H2,(H,27,28)/t21-/m0/s1.
What are the key properties of [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?
[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 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-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169166458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).