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

C19H17ClN6O2 — CID 139486449

IUPAC3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H17ClN6O2/c20-13-5-3-11(4-6-13)15-8-12(10-27-15)17-24-16(28-25-17)9-26-18-14(23-19(26)21)2-1-7-22-18/h1-7,12,15H,8-10H2,(H2,21,23)/t12-,15+/m0/s1
InChIKeyKXJKBRSZQXSODD-SWLSCSKDSA-N
MW396.84 g/mol
LogP3.34
Rot. Bonds4

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

3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 139486449) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is 3-[[3-[(3R,5R)-5-(4-chlorophenyl)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-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID139486449
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC Name3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C19H17ClN6O2/c20-13-5-3-11(4-6-13)15-8-12(10-27-15)17-24-16(28-25-17)9-26-18-14(23-19(26)21)2-1-7-22-18/h1-7,12,15H,8-10H2,(H2,21,23)/t12-,15+/m0/s1
InChIKeyKXJKBRSZQXSODD-SWLSCSKDSA-N
XLogP3.34
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 53.34
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-chlorophenyl)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-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine (CID 139486449) is 3-[[3-[(3R,5R)-5-(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is KXJKBRSZQXSODD-SWLSCSKDSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c20-13-5-3-11(4-6-13)15-8-12(10-27-15)17-24-16(28-25-17)9-26-18-14(23-19(26)21)2-1-7-22-18/h1-7,12,15H,8-10H2,(H2,21,23)/t12-,15+/m0/s1.
What are the key properties of 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine?
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 396.84 g/mol, XLogP of 3.34, 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-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 139486449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).