N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide

C23H18F3N3O2 — CID 122322767

IUPACN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O2/c1-14-9-10-29-13-19(27-21(29)11-14)16-5-8-20(31-2)18(12-16)28-22(30)15-3-6-17(7-4-15)23(24,25)26/h3-13H,1-2H3,(H,28,30)
InChIKeyGKRPAOMTPVEXSQ-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.59
Rot. Bonds4

About N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide

N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 122322767) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID122322767
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O2/c1-14-9-10-29-13-19(27-21(29)11-14)16-5-8-20(31-2)18(12-16)28-22(30)15-3-6-17(7-4-15)23(24,25)26/h3-13H,1-2H3,(H,28,30)
InChIKeyGKRPAOMTPVEXSQ-UHFFFAOYSA-N
XLogP5.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 122322767) is N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide is COc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GKRPAOMTPVEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-14-9-10-29-13-19(27-21(29)11-14)16-5-8-20(31-2)18(12-16)28-22(30)15-3-6-17(7-4-15)23(24,25)26/h3-13H,1-2H3,(H,28,30).
What are the key properties of N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 425.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122322767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).