ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine

C51H56F2N6O2 — CID 163368558

IUPACethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESCC.CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(C(C)C)nc4)n3c2)cc1F.Cc1cc2ncc(-c3ccc(C(C)C)nc3)n2cc1-c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C25H26FN3O.C24H24FN3O.C2H6/c1-15(2)22-8-6-19(12-27-22)23-13-28-25-10-17(5)20(14-29(23)25)18-7-9-24(21(26)11-18)30-16(3)4;1-15(2)21-8-5-18(12-26-21)22-13-27-24-10-7-19(14-28(22)24)17-6-9-23(20(25)11-17)29-16(3)4;1-2/h6-16H,1-5H3;5-16H,1-4H3;1-2H3
InChIKeyWOSITUUKFFIHCN-UHFFFAOYSA-N
MW823.04 g/mol
LogP13.56
Rot. Bonds10

About ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine

ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 163368558) has the molecular formula C51H56F2N6O2 and a molecular weight of 823.04 g/mol. Its IUPAC name is ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID163368558
Molecular FormulaC51H56F2N6O2
Molecular Weight823.04 g/mol
Exact Mass822.44
IUPAC Nameethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILESCC.CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(C(C)C)nc4)n3c2)cc1F.Cc1cc2ncc(-c3ccc(C(C)C)nc3)n2cc1-c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C25H26FN3O.C24H24FN3O.C2H6/c1-15(2)22-8-6-19(12-27-22)23-13-28-25-10-17(5)20(14-29(23)25)18-7-9-24(21(26)11-18)30-16(3)4;1-15(2)21-8-5-18(12-26-21)22-13-27-24-10-7-19(14-28(22)24)17-6-9-23(20(25)11-17)29-16(3)4;1-2/h6-16H,1-5H3;5-16H,1-4H3;1-2H3
InChIKeyWOSITUUKFFIHCN-UHFFFAOYSA-N
XLogP13.56
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.04
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine (CID 163368558) is ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine is CC.CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(C(C)C)nc4)n3c2)cc1F.Cc1cc2ncc(-c3ccc(C(C)C)nc3)n2cc1-c1ccc(OC(C)C)c(F)c1.
What is the InChIKey of ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is WOSITUUKFFIHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O.C24H24FN3O.C2H6/c1-15(2)22-8-6-19(12-27-22)23-13-28-25-10-17(5)20(14-29(23)25)18-7-9-24(21(26)11-18)30-16(3)4;1-15(2)21-8-5-18(12-26-21)22-13-27-24-10-7-19(14-28(22)24)17-6-9-23(20(25)11-17)29-16(3)4;1-2/h6-16H,1-5H3;5-16H,1-4H3;1-2H3.
What are the key properties of ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 823.04 g/mol, XLogP of 13.56, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(3-fluoro-4-propan-2-yloxyphenyl)-7-methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;6-(3-fluoro-4-propan-2-yloxyphenyl)-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 163368558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).