4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C18H21N7O2 — CID 25023724

IUPAC4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCCN)c21
InChIInChI=1S/C18H21N7O2/c1-2-25-16-13(26-9-3-8-19)10-21-12(7-6-11-4-5-11)14(16)22-18(25)15-17(20)24-27-23-15/h10-11H,2-5,8-9,19H2,1H3,(H2,20,24)
InChIKeyUBGKZPSSXPFLIM-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.57
Rot. Bonds6

About 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 25023724) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID25023724
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCCN)c21
InChIInChI=1S/C18H21N7O2/c1-2-25-16-13(26-9-3-8-19)10-21-12(7-6-11-4-5-11)14(16)22-18(25)15-17(20)24-27-23-15/h10-11H,2-5,8-9,19H2,1H3,(H2,20,24)
InChIKeyUBGKZPSSXPFLIM-UHFFFAOYSA-N
XLogP1.57
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 25023724) is 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCCN)c21.
What is the InChIKey of 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is UBGKZPSSXPFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-25-16-13(26-9-3-8-19)10-21-12(7-6-11-4-5-11)14(16)22-18(25)15-17(20)24-27-23-15/h10-11H,2-5,8-9,19H2,1H3,(H2,20,24).
What are the key properties of 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 367.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 25023724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).