4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one

C26H25F4N5O2 — CID 159800821

IUPAC4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one
SMILESCc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cn4cccnc4n3)C(F)(F)F)n2)ccc1F
InChIInChI=1S/C26H25F4N5O2/c1-15-11-16(5-6-18(15)27)19-12-17(24(2,3)31)13-22(33-19)25(37,26(28,29)30)8-7-21(36)20-14-35-10-4-9-32-23(35)34-20/h4-6,9-14,37H,7-8,31H2,1-3H3
InChIKeyKCSQLKFFZZKAES-UHFFFAOYSA-N
MW515.51 g/mol
LogP4.85
Rot. Bonds7

About 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one

4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one (PubChem CID 159800821) has the molecular formula C26H25F4N5O2 and a molecular weight of 515.51 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one.

Molecular Properties

Compound Name4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one
PubChem CID159800821
Molecular FormulaC26H25F4N5O2
Molecular Weight515.51 g/mol
Exact Mass515.19
IUPAC Name4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one
SMILESCc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cn4cccnc4n3)C(F)(F)F)n2)ccc1F
InChIInChI=1S/C26H25F4N5O2/c1-15-11-16(5-6-18(15)27)19-12-17(24(2,3)31)13-22(33-19)25(37,26(28,29)30)8-7-21(36)20-14-35-10-4-9-32-23(35)34-20/h4-6,9-14,37H,7-8,31H2,1-3H3
InChIKeyKCSQLKFFZZKAES-UHFFFAOYSA-N
XLogP4.85
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one with MolForge

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Related Compounds

US10738057, Example 284
CID 138562153
US10738057, Example 85
CID 138562206
US10738057, Example 221
CID 138562350
US10738057, Example 288
CID 138562687
US11046658, Example 28
CID 152617534
N-(5-fluoro-4-methyl-2-pyridinyl)-6-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 44124484
N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
CID 68633270
4-[2-Amino-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylic acid
CID 69258834
4-[2-Amino-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylic acid
CID 69263574
3-{2-Fluoro-5-[7-(1-hydroxy-1-methylethyl)imidazo[1,2-alpha]pyrimidin-3-yl]phenyl}isonicotinamide
CID 69708462
4-[[2-[2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-2-oxoethyl]amino]benzoic acid
CID 89515799
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)pyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 117924678

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one?
The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one (CID 159800821) is 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one.
What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one?
The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one is Cc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cn4cccnc4n3)C(F)(F)F)n2)ccc1F.
What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one?
The InChIKey is KCSQLKFFZZKAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N5O2/c1-15-11-16(5-6-18(15)27)19-12-17(24(2,3)31)13-22(33-19)25(37,26(28,29)30)8-7-21(36)20-14-35-10-4-9-32-23(35)34-20/h4-6,9-14,37H,7-8,31H2,1-3H3.
What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one?
4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one has a molecular weight of 515.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one is sourced from PubChem (CID 159800821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).