3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid

C20H26N4O7S — CID 172630995

IUPAC3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid
SMILESCOCCn1nc(-c2cnc3cc(OCCO)c(S(=O)(=O)C(C)(C)C)cn23)cc1C(=O)O
InChIInChI=1S/C20H26N4O7S/c1-20(2,3)32(28,29)17-12-23-15(11-21-18(23)10-16(17)31-8-6-25)13-9-14(19(26)27)24(22-13)5-7-30-4/h9-12,25H,5-8H2,1-4H3,(H,26,27)
InChIKeyHSPDPXINSBMVSU-UHFFFAOYSA-N
MW466.52 g/mol
LogP1.49
Rot. Bonds9

About 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid

3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid (PubChem CID 172630995) has the molecular formula C20H26N4O7S and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid
PubChem CID172630995
Molecular FormulaC20H26N4O7S
Molecular Weight466.52 g/mol
Exact Mass466.15
IUPAC Name3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid
SMILESCOCCn1nc(-c2cnc3cc(OCCO)c(S(=O)(=O)C(C)(C)C)cn23)cc1C(=O)O
InChIInChI=1S/C20H26N4O7S/c1-20(2,3)32(28,29)17-12-23-15(11-21-18(23)10-16(17)31-8-6-25)13-9-14(19(26)27)24(22-13)5-7-30-4/h9-12,25H,5-8H2,1-4H3,(H,26,27)
InChIKeyHSPDPXINSBMVSU-UHFFFAOYSA-N
XLogP1.49
TPSA145.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide
CID 178094002
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
2-(6-tert-butylsulfonyl-3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol
CID 172632070
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-5-carboxylic acid
CID 172631066
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 178094171
1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 82301479
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901
6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
CID 172631776
3-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methoxy-3-methylanilino]propan-1-ol
CID 170434857
5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylpyridin-2-amine
CID 170616418

Frequently Asked Questions

What is the IUPAC name of 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid (CID 172630995) is 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid is COCCn1nc(-c2cnc3cc(OCCO)c(S(=O)(=O)C(C)(C)C)cn23)cc1C(=O)O.
What is the InChIKey of 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid?
The InChIKey is HSPDPXINSBMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O7S/c1-20(2,3)32(28,29)17-12-23-15(11-21-18(23)10-16(17)31-8-6-25)13-9-14(19(26)27)24(22-13)5-7-30-4/h9-12,25H,5-8H2,1-4H3,(H,26,27).
What are the key properties of 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid?
3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid has a molecular weight of 466.52 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 172630995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).