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

C24H31N5O7S — CID 172631066

IUPAC3-(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
SMILESCOc1cc2ncc(-c3cc(C(=O)O)n(C4CN(C(=O)OC(C)(C)C)C4)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C24H31N5O7S/c1-23(2,3)36-22(32)27-11-14(12-27)29-16(21(30)31)8-15(26-29)17-10-25-20-9-18(35-7)19(13-28(17)20)37(33,34)24(4,5)6/h8-10,13-14H,11-12H2,1-7H3,(H,30,31)
InChIKeyXZAIZAYQRWTBHP-UHFFFAOYSA-N
MW533.61 g/mol
LogP3.27
Rot. Bonds5

About 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

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 (PubChem CID 172631066) has the molecular formula C24H31N5O7S and a molecular weight of 533.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID172631066
Molecular FormulaC24H31N5O7S
Molecular Weight533.61 g/mol
Exact Mass533.19
IUPAC Name3-(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
SMILESCOc1cc2ncc(-c3cc(C(=O)O)n(C4CN(C(=O)OC(C)(C)C)C4)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C24H31N5O7S/c1-23(2,3)36-22(32)27-11-14(12-27)29-16(21(30)31)8-15(26-29)17-10-25-20-9-18(35-7)19(13-28(17)20)37(33,34)24(4,5)6/h8-10,13-14H,11-12H2,1-7H3,(H,30,31)
InChIKeyXZAIZAYQRWTBHP-UHFFFAOYSA-N
XLogP3.27
TPSA145.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-(1-methylazetidin-3-yl)pyrazole-5-carboxamide
CID 172631185
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961888
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
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
CID 172631453
4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 170434784
tert-butyl 3-[[6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961772
tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
CID 178094104
4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
CID 170616500
tert-butyl 3-[[6-[7-methoxy-6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 167122404
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
CID 178093984

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2ncc(-c3cc(C(=O)O)n(C4CN(C(=O)OC(C)(C)C)C4)n3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is XZAIZAYQRWTBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O7S/c1-23(2,3)36-22(32)27-11-14(12-27)29-16(21(30)31)8-15(26-29)17-10-25-20-9-18(35-7)19(13-28(17)20)37(33,34)24(4,5)6/h8-10,13-14H,11-12H2,1-7H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 533.61 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172631066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).