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

C24H28FN5O3S — CID 137365922

IUPAC1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(CS(C)(=O)=O)nn(C)c3C)cn12
InChIInChI=1S/C24H28FN5O3S/c1-16-20(22(28-29(16)3)15-34(4,31)32)9-10-33-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17/h5-8,11,13-14,26H,9-10,12,15H2,1-4H3
InChIKeyBVMMGEOIOYDXJJ-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.07
Rot. Bonds9

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

1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 137365922) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID137365922
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(CS(C)(=O)=O)nn(C)c3C)cn12
InChIInChI=1S/C24H28FN5O3S/c1-16-20(22(28-29(16)3)15-34(4,31)32)9-10-33-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17/h5-8,11,13-14,26H,9-10,12,15H2,1-4H3
InChIKeyBVMMGEOIOYDXJJ-UHFFFAOYSA-N
XLogP3.07
TPSA90.52 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 137365880
1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 171065693
[4-[2-[4-fluoro-2-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol
CID 158500685
1-[6-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 178168601
tert-butyl N-[2-[6-[4-fluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
CID 176899843
(1S)-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 172639754
(1R)-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 172639755
1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
CID 171065805
(E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine
CID 155471575
2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
CID 178168735
1-[1,5-dimethyl-4-[2-[7-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]pyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 178168695

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 137365922) is 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(CS(C)(=O)=O)nn(C)c3C)cn12.
What is the InChIKey of 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is BVMMGEOIOYDXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3S/c1-16-20(22(28-29(16)3)15-34(4,31)32)9-10-33-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17/h5-8,11,13-14,26H,9-10,12,15H2,1-4H3.
What are the key properties of 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 485.59 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 137365922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).