N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C28H24F3N5O2 — CID 91933887

IUPACN-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(C1=CN2C(=NC(=C2NC(=O)C3=CC(=C(C=C3)C(F)(F)F)C4=NN(C=C4)C)C5=CC=CC=C5)C=C1)O
InChIInChI=1S/C28H24F3N5O2/c1-27(2,38)19-10-12-23-32-24(17-7-5-4-6-8-17)25(36(23)16-19)33-26(37)18-9-11-21(28(29,30)31)20(15-18)22-13-14-35(3)34-22/h4-16,38H,1-3H3,(H,33,37)
InChIKeySAERRKQFCAUMTN-UHFFFAOYSA-N
MW519.50 g/mol
LogP5.20
Rot. Bonds5

About N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 91933887) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.50 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID91933887
Molecular FormulaC28H24F3N5O2
Molecular Weight519.50 g/mol
Exact Mass519.19
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(C1=CN2C(=NC(=C2NC(=O)C3=CC(=C(C=C3)C(F)(F)F)C4=NN(C=C4)C)C5=CC=CC=C5)C=C1)O
InChIInChI=1S/C28H24F3N5O2/c1-27(2,38)19-10-12-23-32-24(17-7-5-4-6-8-17)25(36(23)16-19)33-26(37)18-9-11-21(28(29,30)31)20(15-18)22-13-14-35(3)34-22/h4-16,38H,1-3H3,(H,33,37)
InChIKeySAERRKQFCAUMTN-UHFFFAOYSA-N
XLogP5.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity836

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 91933887) is N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is CC(C)(C1=CN2C(=NC(=C2NC(=O)C3=CC(=C(C=C3)C(F)(F)F)C4=NN(C=C4)C)C5=CC=CC=C5)C=C1)O.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is SAERRKQFCAUMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-27(2,38)19-10-12-23-32-24(17-7-5-4-6-8-17)25(36(23)16-19)33-26(37)18-9-11-21(28(29,30)31)20(15-18)22-13-14-35(3)34-22/h4-16,38H,1-3H3,(H,33,37).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 519.50 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91933887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).