3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine

C17H11F4IN2O — CID 170266065

IUPAC3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine
SMILESFC(F)(I)Oc1ccc(-c2ccc3cnc(C4CC4(F)F)n3c2)cc1
InChIInChI=1S/C17H11F4IN2O/c18-16(19)7-14(16)15-23-8-12-4-1-11(9-24(12)15)10-2-5-13(6-3-10)25-17(20,21)22/h1-6,8-9,14H,7H2
InChIKeyGTBRCMSZCGREBI-UHFFFAOYSA-N
MW462.18 g/mol
LogP5.49
Rot. Bonds4

About 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine

3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine (PubChem CID 170266065) has the molecular formula C17H11F4IN2O and a molecular weight of 462.18 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine
PubChem CID170266065
Molecular FormulaC17H11F4IN2O
Molecular Weight462.18 g/mol
Exact Mass461.99
IUPAC Name3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine
SMILESFC(F)(I)Oc1ccc(-c2ccc3cnc(C4CC4(F)F)n3c2)cc1
InChIInChI=1S/C17H11F4IN2O/c18-16(19)7-14(16)15-23-8-12-4-1-11(9-24(12)15)10-2-5-13(6-3-10)25-17(20,21)22/h1-6,8-9,14H,7H2
InChIKeyGTBRCMSZCGREBI-UHFFFAOYSA-N
XLogP5.49
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.18
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
CID 134560300
3-(2-fluoropropan-2-yl)-6-[4-(2-fluoropropan-2-yloxy)phenyl]imidazo[1,5-a]pyridine
CID 170266105
CID 174136647
CID 174136647
3-(1,1-difluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]imidazo[1,5-a]pyridine
CID 142362265
6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555490
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611
2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine
CID 172551718
1-[4-[3-[tris(phosphanyl)methyl]imidazo[1,5-a]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile
CID 170265624
2-pyridin-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56596081
2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 66633611
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine (CID 170266065) is 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine is FC(F)(I)Oc1ccc(-c2ccc3cnc(C4CC4(F)F)n3c2)cc1.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine?
The InChIKey is GTBRCMSZCGREBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4IN2O/c18-16(19)7-14(16)15-23-8-12-4-1-11(9-24(12)15)10-2-5-13(6-3-10)25-17(20,21)22/h1-6,8-9,14H,7H2.
What are the key properties of 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine?
3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine has a molecular weight of 462.18 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 170266065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).