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

C21H20F3N5O3 — CID 25263773

IUPAC1-[3-[7-(3-hydroxypyrrolidine-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)N4CCC(O)C4)ccn23)c1
InChIInChI=1S/C21H20F3N5O3/c22-21(23,24)12-26-20(32)27-15-3-1-2-13(8-15)17-10-25-18-9-14(4-7-29(17)18)19(31)28-6-5-16(30)11-28/h1-4,7-10,16,30H,5-6,11-12H2,(H2,26,27,32)
InChIKeyQRFTWLDIADSMJD-UHFFFAOYSA-N
MW447.42 g/mol
LogP2.89
Rot. Bonds4

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

1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 25263773) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID25263773
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name1-[3-[7-(3-hydroxypyrrolidine-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)N4CCC(O)C4)ccn23)c1
InChIInChI=1S/C21H20F3N5O3/c22-21(23,24)12-26-20(32)27-15-3-1-2-13(8-15)17-10-25-18-9-14(4-7-29(17)18)19(31)28-6-5-16(30)11-28/h1-4,7-10,16,30H,5-6,11-12H2,(H2,26,27,32)
InChIKeyQRFTWLDIADSMJD-UHFFFAOYSA-N
XLogP2.89
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-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-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 25263773) is 1-[3-[7-(3-hydroxypyrrolidine-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-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(3-hydroxypyrrolidine-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)N4CCC(O)C4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QRFTWLDIADSMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c22-21(23,24)12-26-20(32)27-15-3-1-2-13(8-15)17-10-25-18-9-14(4-7-29(17)18)19(31)28-6-5-16(30)11-28/h1-4,7-10,16,30H,5-6,11-12H2,(H2,26,27,32).
What are the key properties of 1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 447.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(3-hydroxypyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 25263773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).