2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

C24H28FN5O3S — CID 137366164

IUPAC2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CS(C)(=O)=O)nn1C
InChIInChI=1S/C24H28FN5O3S/c1-16-20(22(28-29(16)2)15-34(3,31)32)9-11-33-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17/h4-7,12-14H,8-11,15,26H2,1-3H3
InChIKeyFLMIAKHUUGRLKW-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.85
Rot. Bonds9

About 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 137366164) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID137366164
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CS(C)(=O)=O)nn1C
InChIInChI=1S/C24H28FN5O3S/c1-16-20(22(28-29(16)2)15-34(3,31)32)9-11-33-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17/h4-7,12-14H,8-11,15,26H2,1-3H3
InChIKeyFLMIAKHUUGRLKW-UHFFFAOYSA-N
XLogP2.85
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (CID 137366164) is 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CS(C)(=O)=O)nn1C.
What is the InChIKey of 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is FLMIAKHUUGRLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3S/c1-16-20(22(28-29(16)2)15-34(3,31)32)9-11-33-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17/h4-7,12-14H,8-11,15,26H2,1-3H3.
What are the key properties of 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 485.59 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 137366164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).