5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole

C17H19N5O2 — CID 136570270

IUPAC5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc(-c3ccnc4nc(CC5CC5)[nH]c34)n2)CC1
InChIInChI=1S/C17H19N5O2/c1-23-9-17(5-6-17)16-21-15(24-22-16)11-4-7-18-14-13(11)19-12(20-14)8-10-2-3-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,18,19,20)
InChIKeyHXGWIDLPTQXCCE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.64
Rot. Bonds6

About 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole

5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 136570270) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID136570270
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc(-c3ccnc4nc(CC5CC5)[nH]c34)n2)CC1
InChIInChI=1S/C17H19N5O2/c1-23-9-17(5-6-17)16-21-15(24-22-16)11-4-7-18-14-13(11)19-12(20-14)8-10-2-3-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,18,19,20)
InChIKeyHXGWIDLPTQXCCE-UHFFFAOYSA-N
XLogP2.64
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole (CID 136570270) is 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole is COCC1(c2noc(-c3ccnc4nc(CC5CC5)[nH]c34)n2)CC1.
What is the InChIKey of 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is HXGWIDLPTQXCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-9-17(5-6-17)16-21-15(24-22-16)11-4-7-18-14-13(11)19-12(20-14)8-10-2-3-10/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,18,19,20).
What are the key properties of 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole?
5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136570270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).