6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine

C83H62F25N11O6 — CID 158012734

IUPAC6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC(F)(F)COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.CC(F)(F)COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cn1.CC(F)(F)Oc1ccc(-c2ccc3c(CO)nc(C(F)(F)F)n3c2)cc1.CC(F)(F)Oc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.Cc1nc(C(F)(F)F)n2cc(-c3ccc(OC(C)(F)F)cc3)ccc12
InChIInChI=1S/C17H13F5N2O2.2C17H13F5N2O.C16H12F5N3O.C16H11F5N2O/c1-16(18,19)26-12-5-2-10(3-6-12)11-4-7-14-13(9-25)23-15(17(20,21)22)24(14)8-11;1-10-14-8-5-12(9-24(14)15(23-10)17(20,21)22)11-3-6-13(7-4-11)25-16(2,18)19;1-16(18,19)10-25-14-6-3-11(4-7-14)12-2-5-13-8-23-15(17(20,21)22)24(13)9-12;1-15(17,18)9-25-13-5-3-10(6-22-13)11-2-4-12-7-23-14(16(19,20)21)24(12)8-11;1-15(17,18)24-13-6-3-10(4-7-13)11-2-5-12-8-22-14(16(19,20)21)23(12)9-11/h2-8,25H,9H2,1H3;3-9H,1-2H3;2-9H,10H2,1H3;2-8H,9H2,1H3;2-9H,1H3
InChIKeyFFCBFYBFRRGXEX-UHFFFAOYSA-N
MW1784.43 g/mol
LogP24.34
Rot. Bonds18

About 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine

6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine (PubChem CID 158012734) has the molecular formula C83H62F25N11O6 and a molecular weight of 1784.43 g/mol. Its IUPAC name is 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
PubChem CID158012734
Molecular FormulaC83H62F25N11O6
Molecular Weight1784.43 g/mol
Exact Mass1783.45
IUPAC Name6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC(F)(F)COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.CC(F)(F)COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cn1.CC(F)(F)Oc1ccc(-c2ccc3c(CO)nc(C(F)(F)F)n3c2)cc1.CC(F)(F)Oc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.Cc1nc(C(F)(F)F)n2cc(-c3ccc(OC(C)(F)F)cc3)ccc12
InChIInChI=1S/C17H13F5N2O2.2C17H13F5N2O.C16H12F5N3O.C16H11F5N2O/c1-16(18,19)26-12-5-2-10(3-6-12)11-4-7-14-13(9-25)23-15(17(20,21)22)24(14)8-11;1-10-14-8-5-12(9-24(14)15(23-10)17(20,21)22)11-3-6-13(7-4-11)25-16(2,18)19;1-16(18,19)10-25-14-6-3-11(4-7-14)12-2-5-13-8-23-15(17(20,21)22)24(13)9-12;1-15(17,18)9-25-13-5-3-10(6-22-13)11-2-4-12-7-23-14(16(19,20)21)24(12)8-11;1-15(17,18)24-13-6-3-10(4-7-13)11-2-5-12-8-22-14(16(19,20)21)23(12)9-11/h2-8,25H,9H2,1H3;3-9H,1-2H3;2-9H,10H2,1H3;2-8H,9H2,1H3;2-9H,1H3
InChIKeyFFCBFYBFRRGXEX-UHFFFAOYSA-N
XLogP24.34
TPSA165.77 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001784.43
LogP ≤ 524.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine (CID 158012734) is 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine is CC(F)(F)COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.CC(F)(F)COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cn1.CC(F)(F)Oc1ccc(-c2ccc3c(CO)nc(C(F)(F)F)n3c2)cc1.CC(F)(F)Oc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.Cc1nc(C(F)(F)F)n2cc(-c3ccc(OC(C)(F)F)cc3)ccc12.
What is the InChIKey of 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The InChIKey is FFCBFYBFRRGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2.2C17H13F5N2O.C16H12F5N3O.C16H11F5N2O/c1-16(18,19)26-12-5-2-10(3-6-12)11-4-7-14-13(9-25)23-15(17(20,21)22)24(14)8-11;1-10-14-8-5-12(9-24(14)15(23-10)17(20,21)22)11-3-6-13(7-4-11)25-16(2,18)19;1-16(18,19)10-25-14-6-3-11(4-7-14)12-2-5-13-8-23-15(17(20,21)22)24(13)9-12;1-15(17,18)9-25-13-5-3-10(6-22-13)11-2-4-12-7-23-14(16(19,20)21)24(12)8-11;1-15(17,18)24-13-6-3-10(4-7-13)11-2-5-12-8-22-14(16(19,20)21)23(12)9-11/h2-8,25H,9H2,1H3;3-9H,1-2H3;2-9H,10H2,1H3;2-8H,9H2,1H3;2-9H,1H3.
What are the key properties of 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine has a molecular weight of 1784.43 g/mol, XLogP of 24.34, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,1-difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 158012734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).