2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide

C23H21F3N4O4 — CID 154636341

IUPAC2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cc(C)no4)ccn23)cc(OC)c1C(=O)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C23H21F3N4O4/c1-12-7-17(34-29-12)14-5-6-30-16(11-27-20(30)10-14)15-8-18(32-3)21(19(9-15)33-4)22(31)28-13(2)23(24,25)26/h5-11,13H,1-4H3,(H,28,31)/t13-/m0/s1
InChIKeyYMPVCSTXWBZJPS-ZDUSSCGKSA-N
MW474.44 g/mol
LogP4.66
Rot. Bonds6

About 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide

2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide (PubChem CID 154636341) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
PubChem CID154636341
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cc(C)no4)ccn23)cc(OC)c1C(=O)N[C@@H](C)C(F)(F)F
InChIInChI=1S/C23H21F3N4O4/c1-12-7-17(34-29-12)14-5-6-30-16(11-27-20(30)10-14)15-8-18(32-3)21(19(9-15)33-4)22(31)28-13(2)23(24,25)26/h5-11,13H,1-4H3,(H,28,31)/t13-/m0/s1
InChIKeyYMPVCSTXWBZJPS-ZDUSSCGKSA-N
XLogP4.66
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide (CID 154636341) is 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide is COc1cc(-c2cnc3cc(-c4cc(C)no4)ccn23)cc(OC)c1C(=O)N[C@@H](C)C(F)(F)F.
What is the InChIKey of 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
The InChIKey is YMPVCSTXWBZJPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-12-7-17(34-29-12)14-5-6-30-16(11-27-20(30)10-14)15-8-18(32-3)21(19(9-15)33-4)22(31)28-13(2)23(24,25)26/h5-11,13H,1-4H3,(H,28,31)/t13-/m0/s1.
What are the key properties of 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide has a molecular weight of 474.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide is sourced from PubChem (CID 154636341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).