5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one

C20H18FN5O3 — CID 139486530

IUPAC5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2ccn(Cc3nc([C@@H]4CO[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21
InChIInChI=1S/C20H18FN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1
InChIKeyUJUTWGLLXLIFHF-XJKSGUPXSA-N
MW395.39 g/mol
LogP2.55
Rot. Bonds4

About 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one

5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one (PubChem CID 139486530) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one
PubChem CID139486530
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2ccn(Cc3nc([C@@H]4CO[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21
InChIInChI=1S/C20H18FN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1
InChIKeyUJUTWGLLXLIFHF-XJKSGUPXSA-N
XLogP2.55
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one (CID 139486530) is 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one is Cn1cnc2ccn(Cc3nc([C@@H]4CO[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21.
What is the InChIKey of 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one?
The InChIKey is UJUTWGLLXLIFHF-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1.
What are the key properties of 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one?
5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one has a molecular weight of 395.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 139486530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).