4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine

C28H26FN5O2S — CID 58824521

IUPAC4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NC(C)c4ccc(S(C)(=O)=O)cc4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H26FN5O2S/c1-4-19-14-16-34-25(17-19)33-26(21-5-9-22(29)10-6-21)27(34)24-13-15-30-28(32-24)31-18(2)20-7-11-23(12-8-20)37(3,35)36/h5-18H,4H2,1-3H3,(H,30,31,32)
InChIKeyJSRISEBYOJNWMF-UHFFFAOYSA-N
MW515.61 g/mol
LogP5.74
Rot. Bonds7

About 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine

4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine (PubChem CID 58824521) has the molecular formula C28H26FN5O2S and a molecular weight of 515.61 g/mol. Its IUPAC name is 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
PubChem CID58824521
Molecular FormulaC28H26FN5O2S
Molecular Weight515.61 g/mol
Exact Mass515.18
IUPAC Name4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3ccnc(NC(C)c4ccc(S(C)(=O)=O)cc4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H26FN5O2S/c1-4-19-14-16-34-25(17-19)33-26(21-5-9-22(29)10-6-21)27(34)24-13-15-30-28(32-24)31-18(2)20-7-11-23(12-8-20)37(3,35)36/h5-18H,4H2,1-3H3,(H,30,31,32)
InChIKeyJSRISEBYOJNWMF-UHFFFAOYSA-N
XLogP5.74
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine (CID 58824521) is 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine is CCc1ccn2c(-c3ccnc(NC(C)c4ccc(S(C)(=O)=O)cc4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is JSRISEBYOJNWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2S/c1-4-19-14-16-34-25(17-19)33-26(21-5-9-22(29)10-6-21)27(34)24-13-15-30-28(32-24)31-18(2)20-7-11-23(12-8-20)37(3,35)36/h5-18H,4H2,1-3H3,(H,30,31,32).
What are the key properties of 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 515.61 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 58824521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).