[3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol

C27H22F3N5O — CID 10184846

IUPAC[3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
SMILESC[C@@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CO)cccn23)n1)c1ccccc1
InChIInChI=1S/C27H22F3N5O/c1-17(18-7-3-2-4-8-18)32-26-31-13-12-22(33-26)24-23(19-9-5-11-21(15-19)27(28,29)30)34-25-20(16-36)10-6-14-35(24)25/h2-15,17,36H,16H2,1H3,(H,31,32,33)/t17-/m1/s1
InChIKeyVUDJBYHTJHNTDY-QGZVFWFLSA-N
MW489.50 g/mol
LogP6.14
Rot. Bonds6

About [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol

[3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol (PubChem CID 10184846) has the molecular formula C27H22F3N5O and a molecular weight of 489.50 g/mol. Its IUPAC name is [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
PubChem CID10184846
Molecular FormulaC27H22F3N5O
Molecular Weight489.50 g/mol
Exact Mass489.18
IUPAC Name[3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
SMILESC[C@@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CO)cccn23)n1)c1ccccc1
InChIInChI=1S/C27H22F3N5O/c1-17(18-7-3-2-4-8-18)32-26-31-13-12-22(33-26)24-23(19-9-5-11-21(15-19)27(28,29)30)34-25-20(16-36)10-6-14-35(24)25/h2-15,17,36H,16H2,1H3,(H,31,32,33)/t17-/m1/s1
InChIKeyVUDJBYHTJHNTDY-QGZVFWFLSA-N
XLogP6.14
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.50
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 58824666
3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 10281865
N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide
CID 58824400
3-[5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-2-yl]propan-1-ol
CID 67014797
4-[6-chloro-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 12070269
benzyl 4-[1-methyl-5-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 10770417
N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 11682427
4-[6-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 10207537
1-[5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-3-carboxamide
CID 10119941
N-(cyclopropylmethyl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-propyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 10208787
4-(4-bromophenyl)-1-[5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidin-4-ol
CID 10146513
4-[5-(4-fluorophenyl)-3-(2-fluoropropan-2-yl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 162424582

Frequently Asked Questions

What is the IUPAC name of [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The IUPAC name of [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol (CID 10184846) is [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol.
What is the SMILES notation for [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The canonical SMILES for [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol is C[C@@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CO)cccn23)n1)c1ccccc1.
What is the InChIKey of [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
The InChIKey is VUDJBYHTJHNTDY-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H22F3N5O/c1-17(18-7-3-2-4-8-18)32-26-31-13-12-22(33-26)24-23(19-9-5-11-21(15-19)27(28,29)30)34-25-20(16-36)10-6-14-35(24)25/h2-15,17,36H,16H2,1H3,(H,31,32,33)/t17-/m1/s1.
What are the key properties of [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol?
[3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol has a molecular weight of 489.50 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol is sourced from PubChem (CID 10184846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).