6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile

C17H16FN3OP2 — CID 170265555

IUPAC6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)c1nc(C#N)c2ccc(-c3ccc(OC(P)P)cc3)cn12
InChIInChI=1S/C17H16FN3OP2/c1-10(18)16-20-14(8-19)15-7-4-12(9-21(15)16)11-2-5-13(6-3-11)22-17(23)24/h2-7,9-10,17H,23-24H2,1H3
InChIKeyKIWSUIMVBMYXJN-UHFFFAOYSA-N
MW359.28 g/mol
LogP4.32
Rot. Bonds4

About 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile

6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 170265555) has the molecular formula C17H16FN3OP2 and a molecular weight of 359.28 g/mol. Its IUPAC name is 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID170265555
Molecular FormulaC17H16FN3OP2
Molecular Weight359.28 g/mol
Exact Mass359.08
IUPAC Name6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)c1nc(C#N)c2ccc(-c3ccc(OC(P)P)cc3)cn12
InChIInChI=1S/C17H16FN3OP2/c1-10(18)16-20-14(8-19)15-7-4-12(9-21(15)16)11-2-5-13(6-3-11)22-17(23)24/h2-7,9-10,17H,23-24H2,1H3
InChIKeyKIWSUIMVBMYXJN-UHFFFAOYSA-N
XLogP4.32
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 54.32
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

CID 108137
CID 108137
CID 146659124
CID 146659124
CID 26412
CID 26412
CID 694963
CID 694963
CID 720519
CID 720519
CID 2876085
CID 2876085
CID 5329338
CID 5329338
CID 5329342
CID 5329342
CID 5329413
CID 5329413
CID 44444208
CID 44444208
CID 134179257
CID 134179257
CID 134179269
CID 134179269

Frequently Asked Questions

What is the IUPAC name of 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 170265555) is 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile is CC(F)c1nc(C#N)c2ccc(-c3ccc(OC(P)P)cc3)cn12.
What is the InChIKey of 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is KIWSUIMVBMYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OP2/c1-10(18)16-20-14(8-19)15-7-4-12(9-21(15)16)11-2-5-13(6-3-11)22-17(23)24/h2-7,9-10,17H,23-24H2,1H3.
What are the key properties of 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 359.28 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 170265555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).