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

C21H20F3N5O2 — CID 25263772

IUPAC1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C(=O)N4CCCC4)ccn23)c1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)13-26-20(31)27-16-5-3-4-14(10-16)17-12-25-18-11-15(6-9-29(17)18)19(30)28-7-1-2-8-28/h3-6,9-12H,1-2,7-8,13H2,(H2,26,27,31)
InChIKeyIJRZTJQMFLSLOD-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.92
Rot. Bonds4

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

1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 25263772) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID25263772
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C(=O)N4CCCC4)ccn23)c1
InChIInChI=1S/C21H20F3N5O2/c22-21(23,24)13-26-20(31)27-16-5-3-4-14(10-16)17-12-25-18-11-15(6-9-29(17)18)19(30)28-7-1-2-8-28/h3-6,9-12H,1-2,7-8,13H2,(H2,26,27,31)
InChIKeyIJRZTJQMFLSLOD-UHFFFAOYSA-N
XLogP3.92
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 25263772) is 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C(=O)N4CCCC4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IJRZTJQMFLSLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c22-21(23,24)13-26-20(31)27-16-5-3-4-14(10-16)17-12-25-18-11-15(6-9-29(17)18)19(30)28-7-1-2-8-28/h3-6,9-12H,1-2,7-8,13H2,(H2,26,27,31).
What are the key properties of 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 431.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 25263772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).