1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea

C15H20F3N5O2 — CID 46331576

IUPAC1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
SMILESCOCCCNC(=O)NCCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C15H20F3N5O2/c1-25-10-4-8-21-14(24)20-7-3-9-23-12-11(5-2-6-19-12)22-13(23)15(16,17)18/h2,5-6H,3-4,7-10H2,1H3,(H2,20,21,24)
InChIKeyGTRHSVMFUIJBCE-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.18
Rot. Bonds8

About 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea

1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea (PubChem CID 46331576) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
PubChem CID46331576
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
SMILESCOCCCNC(=O)NCCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C15H20F3N5O2/c1-25-10-4-8-21-14(24)20-7-3-9-23-12-11(5-2-6-19-12)22-13(23)15(16,17)18/h2,5-6H,3-4,7-10H2,1H3,(H2,20,21,24)
InChIKeyGTRHSVMFUIJBCE-UHFFFAOYSA-N
XLogP2.18
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea (CID 46331576) is 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea is COCCCNC(=O)NCCCn1c(C(F)(F)F)nc2cccnc21.
What is the InChIKey of 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea?
The InChIKey is GTRHSVMFUIJBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c1-25-10-4-8-21-14(24)20-7-3-9-23-12-11(5-2-6-19-12)22-13(23)15(16,17)18/h2,5-6H,3-4,7-10H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea?
1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea has a molecular weight of 359.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea is sourced from PubChem (CID 46331576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).