1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

C21H20FN5O2S — CID 24745533

IUPAC1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H20FN5O2S/c1-26(2)13-14-9-11-27-18(12-14)25-19(15-4-6-16(22)7-5-15)20(27)17-8-10-23-21(24-17)30(3,28)29/h4-12H,13H2,1-3H3
InChIKeySCGLOANKROYCCV-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (PubChem CID 24745533) has the molecular formula C21H20FN5O2S and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
PubChem CID24745533
Molecular FormulaC21H20FN5O2S
Molecular Weight425.49 g/mol
Exact Mass425.13
IUPAC Name1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H20FN5O2S/c1-26(2)13-14-9-11-27-18(12-14)25-19(15-4-6-16(22)7-5-15)20(27)17-8-10-23-21(24-17)30(3,28)29/h4-12H,13H2,1-3H3
InChIKeySCGLOANKROYCCV-UHFFFAOYSA-N
XLogP3.06
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (CID 24745533) is 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The InChIKey is SCGLOANKROYCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2S/c1-26(2)13-14-9-11-27-18(12-14)25-19(15-4-6-16(22)7-5-15)20(27)17-8-10-23-21(24-17)30(3,28)29/h4-12H,13H2,1-3H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine has a molecular weight of 425.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 24745533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).