4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid

C20H21F3N8O4 — CID 69296487

IUPAC4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccn3)ncc(OCCCN)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N8O2.C2HF3O2/c1-2-26-16-12(27-9-5-7-19)10-22-13(11-6-3-4-8-21-11)14(16)23-18(26)15-17(20)25-28-24-15;3-2(4,5)1(6)7/h3-4,6,8,10H,2,5,7,9,19H2,1H3,(H2,20,25);(H,6,7)
InChIKeyPNZBNDQHVDCZMM-UHFFFAOYSA-N
MW494.43 g/mol
LogP2.51
Rot. Bonds7

About 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid

4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 69296487) has the molecular formula C20H21F3N8O4 and a molecular weight of 494.43 g/mol. Its IUPAC name is 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID69296487
Molecular FormulaC20H21F3N8O4
Molecular Weight494.43 g/mol
Exact Mass494.16
IUPAC Name4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccn3)ncc(OCCCN)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N8O2.C2HF3O2/c1-2-26-16-12(27-9-5-7-19)10-22-13(11-6-3-4-8-21-11)14(16)23-18(26)15-17(20)25-28-24-15;3-2(4,5)1(6)7/h3-4,6,8,10H,2,5,7,9,19H2,1H3,(H2,20,25);(H,6,7)
InChIKeyPNZBNDQHVDCZMM-UHFFFAOYSA-N
XLogP2.51
TPSA181.09 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid (CID 69296487) is 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3ccccn3)ncc(OCCCN)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is PNZBNDQHVDCZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2.C2HF3O2/c1-2-26-16-12(27-9-5-7-19)10-22-13(11-6-3-4-8-21-11)14(16)23-18(26)15-17(20)25-28-24-15;3-2(4,5)1(6)7/h3-4,6,8,10H,2,5,7,9,19H2,1H3,(H2,20,25);(H,6,7).
What are the key properties of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 494.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69296487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).