6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C20H14FN5 — CID 122510388

IUPAC6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)cn12
InChIInChI=1S/C20H14FN5/c21-15-6-3-13(4-7-15)19-20(25-9-1-2-18(25)24-19)14-5-8-17-23-11-16(10-22)26(17)12-14/h3-8,11-12H,1-2,9H2
InChIKeyOPHLMHLJLIXRDE-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.82
Rot. Bonds2

About 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122510388) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122510388
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)cn12
InChIInChI=1S/C20H14FN5/c21-15-6-3-13(4-7-15)19-20(25-9-1-2-18(25)24-19)14-5-8-17-23-11-16(10-22)26(17)12-14/h3-8,11-12H,1-2,9H2
InChIKeyOPHLMHLJLIXRDE-UHFFFAOYSA-N
XLogP3.82
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122510388) is 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)cn12.
What is the InChIKey of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is OPHLMHLJLIXRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c21-15-6-3-13(4-7-15)19-20(25-9-1-2-18(25)24-19)14-5-8-17-23-11-16(10-22)26(17)12-14/h3-8,11-12H,1-2,9H2.
What are the key properties of 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 343.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122510388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).