6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine

C23H23FN4O4S — CID 172631531

IUPAC6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3cc(F)c(OC)c(-c4cncnc4)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C23H23FN4O4S/c1-23(2,3)33(29,30)20-12-28-18(11-27-21(28)8-19(20)31-4)14-6-16(15-9-25-13-26-10-15)22(32-5)17(24)7-14/h6-13H,1-5H3
InChIKeyODTJUPNUAOMMBT-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.19
Rot. Bonds5

About 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine

6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine (PubChem CID 172631531) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
PubChem CID172631531
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC Name6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
SMILESCOc1cc2ncc(-c3cc(F)c(OC)c(-c4cncnc4)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C23H23FN4O4S/c1-23(2,3)33(29,30)20-12-28-18(11-27-21(28)8-19(20)31-4)14-6-16(15-9-25-13-26-10-15)22(32-5)17(24)7-14/h6-13H,1-5H3
InChIKeyODTJUPNUAOMMBT-UHFFFAOYSA-N
XLogP4.19
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-fluoro-4-methoxyphenyl]-6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridine
CID 172631546
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
CID 178185134
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
CID 178094096
N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
CID 178094039
6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901
5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylpyridin-2-amine
CID 170616418
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoroaniline
CID 172631556
3-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methoxy-3-methylanilino]propan-1-ol
CID 170434857
6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
CID 172631776
N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 178093964
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine (CID 172631531) is 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine is COc1cc2ncc(-c3cc(F)c(OC)c(-c4cncnc4)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
The InChIKey is ODTJUPNUAOMMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-23(2,3)33(29,30)20-12-28-18(11-27-21(28)8-19(20)31-4)14-6-16(15-9-25-13-26-10-15)22(32-5)17(24)7-14/h6-13H,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine has a molecular weight of 470.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 172631531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).