3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine

C20H20N6O2 — CID 157083864

IUPAC3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5cccnc54)n3)CO2)cc1
InChIInChI=1S/C20H20N6O2/c1-12-4-6-13(7-5-12)16-9-14(11-27-16)18-24-17(28-25-18)10-26-19-15(23-20(26)21)3-2-8-22-19/h2-8,14,16H,9-11H2,1H3,(H2,21,23)/t14-,16+/m0/s1
InChIKeyFRKYKCUEBQOVIQ-GOEBONIOSA-N
MW376.42 g/mol
LogP3.00
Rot. Bonds4

About 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine

3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 157083864) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID157083864
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5cccnc54)n3)CO2)cc1
InChIInChI=1S/C20H20N6O2/c1-12-4-6-13(7-5-12)16-9-14(11-27-16)18-24-17(28-25-18)10-26-19-15(23-20(26)21)3-2-8-22-19/h2-8,14,16H,9-11H2,1H3,(H2,21,23)/t14-,16+/m0/s1
InChIKeyFRKYKCUEBQOVIQ-GOEBONIOSA-N
XLogP3.00
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine (CID 157083864) is 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine is Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5cccnc54)n3)CO2)cc1.
What is the InChIKey of 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is FRKYKCUEBQOVIQ-GOEBONIOSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-4-6-13(7-5-12)16-9-14(11-27-16)18-24-17(28-25-18)10-26-19-15(23-20(26)21)3-2-8-22-19/h2-8,14,16H,9-11H2,1H3,(H2,21,23)/t14-,16+/m0/s1.
What are the key properties of 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine?
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 376.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 157083864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).