6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile

C18H18FN3OP2 — CID 170265968

IUPAC6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(P)c1nc(C#N)c2ccc(-c3ccc(OC(C)(F)P)cc3)cn12
InChIInChI=1S/C18H18FN3OP2/c1-11(24)17-21-15(9-20)16-8-5-13(10-22(16)17)12-3-6-14(7-4-12)23-18(2,19)25/h3-8,10-11H,24-25H2,1-2H3
InChIKeyHJZLWGINBDQALT-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.71
Rot. Bonds4

About 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile

6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 170265968) has the molecular formula C18H18FN3OP2 and a molecular weight of 373.31 g/mol. Its IUPAC name is 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID170265968
Molecular FormulaC18H18FN3OP2
Molecular Weight373.31 g/mol
Exact Mass373.09
IUPAC Name6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(P)c1nc(C#N)c2ccc(-c3ccc(OC(C)(F)P)cc3)cn12
InChIInChI=1S/C18H18FN3OP2/c1-11(24)17-21-15(9-20)16-8-5-13(10-22(16)17)12-3-6-14(7-4-12)23-18(2,19)25/h3-8,10-11H,24-25H2,1-2H3
InChIKeyHJZLWGINBDQALT-UHFFFAOYSA-N
XLogP4.71
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157183481
3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 134560299
6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265555
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338
6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265754
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362297
6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362296
3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
CID 170266022
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
3-(2-fluoropropan-2-yl)-6-[4-(2-fluoropropan-2-yloxy)phenyl]imidazo[1,5-a]pyridine
CID 170266105
3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849121
CID 174136647
CID 174136647

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 170265968) is 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile is CC(P)c1nc(C#N)c2ccc(-c3ccc(OC(C)(F)P)cc3)cn12.
What is the InChIKey of 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is HJZLWGINBDQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OP2/c1-11(24)17-21-15(9-20)16-8-5-13(10-22(16)17)12-3-6-14(7-4-12)23-18(2,19)25/h3-8,10-11H,24-25H2,1-2H3.
What are the key properties of 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 373.31 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 170265968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).