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

C16H19N9O2 — CID 25023723

IUPAC4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3cn[nH]c3)ncc(OCCCN)c21
InChIInChI=1S/C16H19N9O2/c1-2-25-14-10(26-5-3-4-17)8-19-11(9-6-20-21-7-9)12(14)22-16(25)13-15(18)24-27-23-13/h6-8H,2-5,17H2,1H3,(H2,18,24)(H,20,21)
InChIKeySFFXQQVPUQMHAP-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.20
Rot. Bonds7

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

4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 25023723) has the molecular formula C16H19N9O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-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-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID25023723
Molecular FormulaC16H19N9O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3cn[nH]c3)ncc(OCCCN)c21
InChIInChI=1S/C16H19N9O2/c1-2-25-14-10(26-5-3-4-17)8-19-11(9-6-20-21-7-9)12(14)22-16(25)13-15(18)24-27-23-13/h6-8H,2-5,17H2,1H3,(H2,18,24)(H,20,21)
InChIKeySFFXQQVPUQMHAP-UHFFFAOYSA-N
XLogP1.20
TPSA159.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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-pyrazol-4-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-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 25023723) is 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-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-pyrazol-4-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-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(-c3cn[nH]c3)ncc(OCCCN)c21.
What is the InChIKey of 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is SFFXQQVPUQMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9O2/c1-2-25-14-10(26-5-3-4-17)8-19-11(9-6-20-21-7-9)12(14)22-16(25)13-15(18)24-27-23-13/h6-8H,2-5,17H2,1H3,(H2,18,24)(H,20,21).
What are the key properties of 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 369.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopropoxy)-1-ethyl-4-(1H-pyrazol-4-yl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 25023723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).