6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C20H13F4N5O — CID 122510831

IUPAC6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(O)C(F)(F)F)cn12
InChIInChI=1S/C20H13F4N5O/c21-14-4-1-12(2-5-14)18-19(28(11-27-18)10-16(30)20(22,23)24)13-3-6-17-26-8-15(7-25)29(17)9-13/h1-6,8-9,11,16,30H,10H2
InChIKeyWZYNZDRDAMEUBE-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.80
Rot. Bonds4

About 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122510831) has the molecular formula C20H13F4N5O and a molecular weight of 415.35 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122510831
Molecular FormulaC20H13F4N5O
Molecular Weight415.35 g/mol
Exact Mass415.11
IUPAC Name6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(O)C(F)(F)F)cn12
InChIInChI=1S/C20H13F4N5O/c21-14-4-1-12(2-5-14)18-19(28(11-27-18)10-16(30)20(22,23)24)13-3-6-17-26-8-15(7-25)29(17)9-13/h1-6,8-9,11,16,30H,10H2
InChIKeyWZYNZDRDAMEUBE-UHFFFAOYSA-N
XLogP3.80
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122510831) is 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(O)C(F)(F)F)cn12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is WZYNZDRDAMEUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O/c21-14-4-1-12(2-5-14)18-19(28(11-27-18)10-16(30)20(22,23)24)13-3-6-17-26-8-15(7-25)29(17)9-13/h1-6,8-9,11,16,30H,10H2.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 415.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122510831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).