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

C34H28F6N8O4 — CID 158317147

IUPAC1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(CO)ccn23)c1.O=Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C17H15F3N4O2.C17H13F3N4O2/c2*18-17(19,20)10-22-16(26)23-13-3-1-2-12(7-13)14-8-21-15-6-11(9-25)4-5-24(14)15/h1-8,25H,9-10H2,(H2,22,23,26);1-9H,10H2,(H2,22,23,26)
InChIKeyGOJYIRHURTYQJS-UHFFFAOYSA-N
MW726.64 g/mol
LogP6.68
Rot. Bonds8

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

1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 158317147) has the molecular formula C34H28F6N8O4 and a molecular weight of 726.64 g/mol. Its IUPAC name is 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID158317147
Molecular FormulaC34H28F6N8O4
Molecular Weight726.64 g/mol
Exact Mass726.21
IUPAC Name1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(CO)ccn23)c1.O=Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C17H15F3N4O2.C17H13F3N4O2/c2*18-17(19,20)10-22-16(26)23-13-3-1-2-12(7-13)14-8-21-15-6-11(9-25)4-5-24(14)15/h1-8,25H,9-10H2,(H2,22,23,26);1-9H,10H2,(H2,22,23,26)
InChIKeyGOJYIRHURTYQJS-UHFFFAOYSA-N
XLogP6.68
TPSA154.16 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.64
LogP ≤ 56.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

1-[3-[7-[5-(Hydroxymethyl)pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547307
1-[3-[7-[5-(2-Hydroxyethyl)pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68161700
1-[3-[7-[4-Amino-5-(hydroxymethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44549023
1-[3-[7-[5-(Hydroxymethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68169811
2-[3-[3-(2,2,2-Trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyridine-4-carboxamide
CID 68170099
1-[3-(Hydroxymethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766790
4-((6-(3-(3-(3-(Trifluoromethyl)phenyl)ureido)phenyl)imidazo[1,2-a]pyrazin-8-ylamino)methyl)benzoic acid
CID 46878733
3-[[4-(Diaminomethylideneamino)phenyl]methylamino]-2-pyridin-3-ylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 127041165
(R)-(3-aminopiperidin-1-yl)(2-(1-(4-(hydroxymethyl)benzyl)-1H-indol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 138579098
4-[3-(1-Hydroxy-ethyl)-phenylamino]-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide
CID 11388192
1-[3-[7-(Pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 25263772
1-[3-[7-(3-Hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 25263773

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 158317147) is 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(CO)ccn23)c1.O=Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GOJYIRHURTYQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2.C17H13F3N4O2/c2*18-17(19,20)10-22-16(26)23-13-3-1-2-12(7-13)14-8-21-15-6-11(9-25)4-5-24(14)15/h1-8,25H,9-10H2,(H2,22,23,26);1-9H,10H2,(H2,22,23,26).
What are the key properties of 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 726.64 g/mol, XLogP of 6.68, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-formylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 158317147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).