2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile

C19H12F7N5 — CID 155026513

IUPAC2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCCc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C19H12F7N5/c20-11-1-3-12(4-2-11)31-8-7-28-16(31)5-6-29-17-13(10-27)14(18(21,22)23)9-15(30-17)19(24,25)26/h1-4,7-9H,5-6H2,(H,29,30)
InChIKeyRDYYSRYYTCFGAM-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.97
Rot. Bonds5

About 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile

2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 155026513) has the molecular formula C19H12F7N5 and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID155026513
Molecular FormulaC19H12F7N5
Molecular Weight443.33 g/mol
Exact Mass443.10
IUPAC Name2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCCc1nccn1-c1ccc(F)cc1
InChIInChI=1S/C19H12F7N5/c20-11-1-3-12(4-2-11)31-8-7-28-16(31)5-6-29-17-13(10-27)14(18(21,22)23)9-15(30-17)19(24,25)26/h1-4,7-9H,5-6H2,(H,29,30)
InChIKeyRDYYSRYYTCFGAM-UHFFFAOYSA-N
XLogP4.97
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672803
2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672755
2-[[3-(4-bromophenyl)-2-pyridinyl]methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672801
1-(4-fluorophenyl)imidazole-2-carbonitrile
CID 84660888
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 169107325
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
CID 107086151
4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67464456
2,4-diamino-6-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90236875
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
5-fluoro-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzonitrile
CID 171334434

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile (CID 155026513) is 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCCc1nccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RDYYSRYYTCFGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F7N5/c20-11-1-3-12(4-2-11)31-8-7-28-16(31)5-6-29-17-13(10-27)14(18(21,22)23)9-15(30-17)19(24,25)26/h1-4,7-9H,5-6H2,(H,29,30).
What are the key properties of 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 443.33 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-fluorophenyl)imidazol-2-yl]ethylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 155026513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).