4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride

C54H54Cl3F8N11O7 — CID 159039621

About 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride

4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride (PubChem CID 159039621) has the molecular formula C54H54Cl3F8N11O7 and a molecular weight of 1227.44 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride
• PubChem CID: 159039621
• Molecular Formula: C54H54Cl3F8N11O7
• Molecular Weight: 1227.44 g/mol
• Exact Mass: 1225.31
• IUPAC Name: 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(O)(CN)C(F)(F)F)c1.CC(C)(N)c1cc(-c2ccc(F)c(Cl)c2)nc(C(O)(CCC(=O)c2cn3cccnc3n2)C(F)(F)F)c1.Cl.O=C(O)c1cn2cccnc2n1
• InChI: InChI=1S/C25H22ClF4N5O2.C22H26ClF4N3O3.C7H5N3O2.ClH/c1-23(2,31)15-11-18(14-4-5-17(27)16(26)10-14)33-21(12-15)24(37,25(28,29)30)7-6-20(36)19-13-35-9-3-8-32-22(35)34-19;1-19(2,3)33-18(31)30-20(4,5)13-9-16(12-6-7-15(24)14(23)8-12)29-17(10-13)21(32,11-28)22(25,26)27;11-6(12)5-4-10-3-1-2-8-7(10)9-5;/h3-5,8-13,37H,6-7,31H2,1-2H3;6-10,32H,11,28H2,1-5H3,(H,30,31);1-4H,(H,11,12);1H
• InChIKey: SNJWTHGVIYCQEH-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 271.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1227.44
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?

The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride (CID 159039621) is 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride.

What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?

The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)NC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(O)(CN)C(F)(F)F)c1.CC(C)(N)c1cc(-c2ccc(F)c(Cl)c2)nc(C(O)(CCC(=O)c2cn3cccnc3n2)C(F)(F)F)c1.Cl.O=C(O)c1cn2cccnc2n1.

What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?

The InChIKey is SNJWTHGVIYCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF4N5O2.C22H26ClF4N3O3.C7H5N3O2.ClH/c1-23(2,31)15-11-18(14-4-5-17(27)16(26)10-14)33-21(12-15)24(37,25(28,29)30)7-6-20(36)19-13-35-9-3-8-32-22(35)34-19;1-19(2,3)33-18(31)30-20(4,5)13-9-16(12-6-7-15(24)14(23)8-12)29-17(10-13)21(32,11-28)22(25,26)27;11-6(12)5-4-10-3-1-2-8-7(10)9-5;/h3-5,8-13,37H,6-7,31H2,1-2H3;6-10,32H,11,28H2,1-5H3,(H,30,31);1-4H,(H,11,12);1H.

What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride?

4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride has a molecular weight of 1227.44 g/mol, XLogP of 11.05, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 159039621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).