4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C17H20N8O2 — CID 25023722

IUPAC4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCCN)c21
InChIInChI=1S/C17H20N8O2/c1-2-25-15-11(26-7-3-5-18)9-21-12(10-4-6-20-8-10)13(15)22-17(25)14-16(19)24-27-23-14/h4,6,8-9,20H,2-3,5,7,18H2,1H3,(H2,19,24)
InChIKeyBFFORFSCMCLHMJ-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.81
Rot. Bonds7

About 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 25023722) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID25023722
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCCN)c21
InChIInChI=1S/C17H20N8O2/c1-2-25-15-11(26-7-3-5-18)9-21-12(10-4-6-20-8-10)13(15)22-17(25)14-16(19)24-27-23-14/h4,6,8-9,20H,2-3,5,7,18H2,1H3,(H2,19,24)
InChIKeyBFFORFSCMCLHMJ-UHFFFAOYSA-N
XLogP1.81
TPSA146.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 25023722) is 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCCN)c21.
What is the InChIKey of 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is BFFORFSCMCLHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-2-25-15-11(26-7-3-5-18)9-21-12(10-4-6-20-8-10)13(15)22-17(25)14-16(19)24-27-23-14/h4,6,8-9,20H,2-3,5,7,18H2,1H3,(H2,19,24).
What are the key properties of 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 368.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrrol-3-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 25023722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).