1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C22H19F6N7O — CID 89121268

About 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 89121268) has the molecular formula C22H19F6N7O and a molecular weight of 511.43 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 89121268
• Molecular Formula: C22H19F6N7O
• Molecular Weight: 511.43 g/mol
• Exact Mass: 511.16
• IUPAC Name: 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: NCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3n2C=CC(c2ccnc(C(F)(F)F)n2)C3)c1
• InChI: InChI=1S/C22H19F6N7O/c23-21(24,25)11-32-20(36)33-15-6-12(9-29)5-14(7-15)17-10-31-18-8-13(2-4-35(17)18)16-1-3-30-19(34-16)22(26,27)28/h1-7,10,13H,8-9,11,29H2,(H2,32,33,36)
• InChIKey: QIQCLBUCXZCZQE-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 110.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.43
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 89121268) is 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is NCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3n2C=CC(c2ccnc(C(F)(F)F)n2)C3)c1.

What is the InChIKey of 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is QIQCLBUCXZCZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N7O/c23-21(24,25)11-32-20(36)33-15-6-12(9-29)5-14(7-15)17-10-31-18-8-13(2-4-35(17)18)16-1-3-30-19(34-16)22(26,27)28/h1-7,10,13H,8-9,11,29H2,(H2,32,33,36).

What are the key properties of 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?

1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 511.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(aminomethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 89121268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).