[3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol

C23H23F3N6O — CID 58824427

IUPAC[3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCN(C)CCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C23H23F3N6O/c1-31(2)11-9-28-22-27-8-6-18(29-22)21-20(16-4-3-5-17(13-16)23(24,25)26)30-19-12-15(14-33)7-10-32(19)21/h3-8,10,12-13,33H,9,11,14H2,1-2H3,(H,27,28,29)
InChIKeyCKZPEBGSIYGAPG-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.94
Rot. Bonds7

About [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824427) has the molecular formula C23H23F3N6O and a molecular weight of 456.47 g/mol. Its IUPAC name is [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824427
Molecular FormulaC23H23F3N6O
Molecular Weight456.47 g/mol
Exact Mass456.19
IUPAC Name[3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCN(C)CCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CO)ccn23)n1
InChIInChI=1S/C23H23F3N6O/c1-31(2)11-9-28-22-27-8-6-18(29-22)21-20(16-4-3-5-17(13-16)23(24,25)26)30-19-12-15(14-33)7-10-32(19)21/h3-8,10,12-13,33H,9,11,14H2,1-2H3,(H,27,28,29)
InChIKeyCKZPEBGSIYGAPG-UHFFFAOYSA-N
XLogP3.94
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824427) is [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol is CN(C)CCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(CO)ccn23)n1.
What is the InChIKey of [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is CKZPEBGSIYGAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O/c1-31(2)11-9-28-22-27-8-6-18(29-22)21-20(16-4-3-5-17(13-16)23(24,25)26)30-19-12-15(14-33)7-10-32(19)21/h3-8,10,12-13,33H,9,11,14H2,1-2H3,(H,27,28,29).
What are the key properties of [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 456.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).