1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate

C55H58F3IN12O8 — CID 159175827

About 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate

1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 159175827) has the molecular formula C55H58F3IN12O8 and a molecular weight of 1199.04 g/mol. Its IUPAC name is 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate
• PubChem CID: 159175827
• Molecular Formula: C55H58F3IN12O8
• Molecular Weight: 1199.04 g/mol
• Exact Mass: 1198.35
• IUPAC Name: 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate
• SMILES: CC(C)(O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.CC(C)(O)c1ccn2c(I)cnc2c1.CC(C)(O)c1ccn2ccnc2c1.COC(=O)c1ccn2ccnc2c1.COC(=O)c1ccnc(N)c1
• InChI: InChI=1S/C19H19F3N4O2.C10H11IN2O.C10H12N2O.C9H8N2O2.C7H8N2O2/c1-18(2,28)13-6-7-26-15(10-23-16(26)9-13)12-4-3-5-14(8-12)25-17(27)24-11-19(20,21)22;1-10(2,14)7-3-4-13-8(11)6-12-9(13)5-7;1-10(2,13)8-3-5-12-6-4-11-9(12)7-8;1-13-9(12)7-2-4-11-5-3-10-8(11)6-7;1-11-7(10)5-2-3-9-6(8)4-5/h3-10,28H,11H2,1-2H3,(H2,24,25,27);3-6,14H,1-2H3;3-7,13H,1-2H3;2-6H,1H3;2-4H,1H3,(H2,8,9)
• InChIKey: KMGLRPWUMDRVAB-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 262.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1199.04
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate?

The IUPAC name of 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate (CID 159175827) is 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate.

What is the SMILES notation for 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate?

The canonical SMILES for 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate is CC(C)(O)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1.CC(C)(O)c1ccn2c(I)cnc2c1.CC(C)(O)c1ccn2ccnc2c1.COC(=O)c1ccn2ccnc2c1.COC(=O)c1ccnc(N)c1.

What is the InChIKey of 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate?

The InChIKey is KMGLRPWUMDRVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C10H11IN2O.C10H12N2O.C9H8N2O2.C7H8N2O2/c1-18(2,28)13-6-7-26-15(10-23-16(26)9-13)12-4-3-5-14(8-12)25-17(27)24-11-19(20,21)22;1-10(2,14)7-3-4-13-8(11)6-12-9(13)5-7;1-10(2,13)8-3-5-12-6-4-11-9(12)7-8;1-13-9(12)7-2-4-11-5-3-10-8(11)6-7;1-11-7(10)5-2-3-9-6(8)4-5/h3-10,28H,11H2,1-2H3,(H2,24,25,27);3-6,14H,1-2H3;3-7,13H,1-2H3;2-6H,1H3;2-4H,1H3,(H2,8,9).

What are the key properties of 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate?

1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 1199.04 g/mol, XLogP of 9.21, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 159175827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).