1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea

C20H20F3N5O3 — CID 173014592

IUPAC1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea
SMILESCOCCON=Cc1ccn2c(-c3cccc(NC(=O)NC(F)C(F)F)c3)cnc2c1
InChIInChI=1S/C20H20F3N5O3/c1-30-7-8-31-25-11-13-5-6-28-16(12-24-17(28)9-13)14-3-2-4-15(10-14)26-20(29)27-19(23)18(21)22/h2-6,9-12,18-19H,7-8H2,1H3,(H2,26,27,29)
InChIKeyHWDCGGQCRVPPFZ-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.68
Rot. Bonds9

About 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea

1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea (PubChem CID 173014592) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea
PubChem CID173014592
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea
SMILESCOCCON=Cc1ccn2c(-c3cccc(NC(=O)NC(F)C(F)F)c3)cnc2c1
InChIInChI=1S/C20H20F3N5O3/c1-30-7-8-31-25-11-13-5-6-28-16(12-24-17(28)9-13)14-3-2-4-15(10-14)26-20(29)27-19(23)18(21)22/h2-6,9-12,18-19H,7-8H2,1H3,(H2,26,27,29)
InChIKeyHWDCGGQCRVPPFZ-UHFFFAOYSA-N
XLogP3.68
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea (CID 173014592) is 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea is COCCON=Cc1ccn2c(-c3cccc(NC(=O)NC(F)C(F)F)c3)cnc2c1.
What is the InChIKey of 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea?
The InChIKey is HWDCGGQCRVPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-30-7-8-31-25-11-13-5-6-28-16(12-24-17(28)9-13)14-3-2-4-15(10-14)26-20(29)27-19(23)18(21)22/h2-6,9-12,18-19H,7-8H2,1H3,(H2,26,27,29).
What are the key properties of 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea?
1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea has a molecular weight of 435.41 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(2-methoxyethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(1,2,2-trifluoroethyl)urea is sourced from PubChem (CID 173014592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).