2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile

C21H11F6N5O — CID 118094888

IUPAC2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H11F6N5O/c22-20(23,24)19-18(32-8-2-1-3-17(32)31-19)15-9-12(11-28)10-16(30-15)29-13-4-6-14(7-5-13)33-21(25,26)27/h1-10H,(H,29,30)
InChIKeyHIAOIIGWNWCUDC-UHFFFAOYSA-N
MW463.34 g/mol
LogP5.93
Rot. Bonds4

About 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile

2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (PubChem CID 118094888) has the molecular formula C21H11F6N5O and a molecular weight of 463.34 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
PubChem CID118094888
Molecular FormulaC21H11F6N5O
Molecular Weight463.34 g/mol
Exact Mass463.09
IUPAC Name2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H11F6N5O/c22-20(23,24)19-18(32-8-2-1-3-17(32)31-19)15-9-12(11-28)10-16(30-15)29-13-4-6-14(7-5-13)33-21(25,26)27/h1-10H,(H,29,30)
InChIKeyHIAOIIGWNWCUDC-UHFFFAOYSA-N
XLogP5.93
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile (CID 118094888) is 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is N#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.
What is the InChIKey of 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
The InChIKey is HIAOIIGWNWCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6N5O/c22-20(23,24)19-18(32-8-2-1-3-17(32)31-19)15-9-12(11-28)10-16(30-15)29-13-4-6-14(7-5-13)33-21(25,26)27/h1-10H,(H,29,30).
What are the key properties of 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile?
2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile has a molecular weight of 463.34 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 118094888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).