N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

C25H20F3N3O2 — CID 23120582

IUPACN-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc2nc(C3CC3)c(CO)n2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20F3N3O2/c26-25(27,28)19-9-7-16(8-10-19)15-1-5-18(6-2-15)24(33)29-20-11-12-22-30-23(17-3-4-17)21(14-32)31(22)13-20/h1-2,5-13,17,32H,3-4,14H2,(H,29,33)
InChIKeyGNECQVHJXPINQL-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.64
Rot. Bonds5

About N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 23120582) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID23120582
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC NameN-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc2nc(C3CC3)c(CO)n2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20F3N3O2/c26-25(27,28)19-9-7-16(8-10-19)15-1-5-18(6-2-15)24(33)29-20-11-12-22-30-23(17-3-4-17)21(14-32)31(22)13-20/h1-2,5-13,17,32H,3-4,14H2,(H,29,33)
InChIKeyGNECQVHJXPINQL-UHFFFAOYSA-N
XLogP5.64
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 23120582) is N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc2nc(C3CC3)c(CO)n2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GNECQVHJXPINQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c26-25(27,28)19-9-7-16(8-10-19)15-1-5-18(6-2-15)24(33)29-20-11-12-22-30-23(17-3-4-17)21(14-32)31(22)13-20/h1-2,5-13,17,32H,3-4,14H2,(H,29,33).
What are the key properties of N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 451.45 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 23120582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).