2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

C27H19F4N5O2 — CID 122609194

IUPAC2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESCC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C27H19F4N5O2/c1-15(37)22-14-34-25-23(17(8-11-36(22)25)16-6-3-2-4-7-16)35-26(38)19-12-18(24-32-9-5-10-33-24)20(13-21(19)28)27(29,30)31/h2-15,37H,1H3,(H,35,38)
InChIKeyHUIZWPSZBSBOGO-UHFFFAOYSA-N
MW521.47 g/mol
LogP5.92
Rot. Bonds5

About 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 122609194) has the molecular formula C27H19F4N5O2 and a molecular weight of 521.47 g/mol. Its IUPAC name is 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID122609194
Molecular FormulaC27H19F4N5O2
Molecular Weight521.47 g/mol
Exact Mass521.15
IUPAC Name2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
SMILESCC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
InChIInChI=1S/C27H19F4N5O2/c1-15(37)22-14-34-25-23(17(8-11-36(22)25)16-6-3-2-4-7-16)35-26(38)19-12-18(24-32-9-5-10-33-24)20(13-21(19)28)27(29,30)31/h2-15,37H,1H3,(H,35,38)
InChIKeyHUIZWPSZBSBOGO-UHFFFAOYSA-N
XLogP5.92
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 122609194) is 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is CC(O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12.
What is the InChIKey of 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is HUIZWPSZBSBOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4N5O2/c1-15(37)22-14-34-25-23(17(8-11-36(22)25)16-6-3-2-4-7-16)35-26(38)19-12-18(24-32-9-5-10-33-24)20(13-21(19)28)27(29,30)31/h2-15,37H,1H3,(H,35,38).
What are the key properties of 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 521.47 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(1-hydroxyethyl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122609194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).