4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide

C25H27F2N5O3S — CID 121301910

IUPAC4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cnn(CCN4CCS(=O)(=O)CC4)c3)n2c1
InChIInChI=1S/C25H27F2N5O3S/c1-17-12-23(35-16-20-21(26)4-3-5-22(20)27)25-29-18(2)24(32(25)14-17)19-13-28-31(15-19)7-6-30-8-10-36(33,34)11-9-30/h3-5,12-15H,6-11,16H2,1-2H3
InChIKeyJERJBDQOJOVQQH-UHFFFAOYSA-N
MW515.59 g/mol
LogP3.40
Rot. Bonds7

About 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 121301910) has the molecular formula C25H27F2N5O3S and a molecular weight of 515.59 g/mol. Its IUPAC name is 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID121301910
Molecular FormulaC25H27F2N5O3S
Molecular Weight515.59 g/mol
Exact Mass515.18
IUPAC Name4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cnn(CCN4CCS(=O)(=O)CC4)c3)n2c1
InChIInChI=1S/C25H27F2N5O3S/c1-17-12-23(35-16-20-21(26)4-3-5-22(20)27)25-29-18(2)24(32(25)14-17)19-13-28-31(15-19)7-6-30-8-10-36(33,34)11-9-30/h3-5,12-15H,6-11,16H2,1-2H3
InChIKeyJERJBDQOJOVQQH-UHFFFAOYSA-N
XLogP3.40
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide (CID 121301910) is 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cnn(CCN4CCS(=O)(=O)CC4)c3)n2c1.
What is the InChIKey of 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is JERJBDQOJOVQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3S/c1-17-12-23(35-16-20-21(26)4-3-5-22(20)27)25-29-18(2)24(32(25)14-17)19-13-28-31(15-19)7-6-30-8-10-36(33,34)11-9-30/h3-5,12-15H,6-11,16H2,1-2H3.
What are the key properties of 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 515.59 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]pyrazol-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 121301910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).