2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H18F3N3O2 — CID 71761816

IUPAC2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c(C)nc2c1
InChIInChI=1S/C23H18F3N3O2/c1-14-11-12-29-20(13-14)27-15(2)21(29)22(30)28-17-5-9-19(10-6-17)31-18-7-3-16(4-8-18)23(24,25)26/h3-13H,1-2H3,(H,28,30)
InChIKeyIGURKUWHWXZDCP-UHFFFAOYSA-N
MW425.41 g/mol
LogP6.01
Rot. Bonds4

About 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71761816) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71761816
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c(C)nc2c1
InChIInChI=1S/C23H18F3N3O2/c1-14-11-12-29-20(13-14)27-15(2)21(29)22(30)28-17-5-9-19(10-6-17)31-18-7-3-16(4-8-18)23(24,25)26/h3-13H,1-2H3,(H,28,30)
InChIKeyIGURKUWHWXZDCP-UHFFFAOYSA-N
XLogP6.01
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 ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71761816) is 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IGURKUWHWXZDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-14-11-12-29-20(13-14)27-15(2)21(29)22(30)28-17-5-9-19(10-6-17)31-18-7-3-16(4-8-18)23(24,25)26/h3-13H,1-2H3,(H,28,30).
What are the key properties of 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71761816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).