methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C21H28N4O5S — CID 167838131

IUPACmethyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nn3c(c2C(=O)OC)CCCC3)cc1
InChIInChI=1S/C21H28N4O5S/c1-4-14(2)24-31(28,29)16-10-8-15(9-11-16)20(26)22-13-17-19(21(27)30-3)18-7-5-6-12-25(18)23-17/h8-11,14,24H,4-7,12-13H2,1-3H3,(H,22,26)
InChIKeyWGYHGGAKGGJFRM-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.01
Rot. Bonds8

About methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167838131) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167838131
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC Namemethyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nn3c(c2C(=O)OC)CCCC3)cc1
InChIInChI=1S/C21H28N4O5S/c1-4-14(2)24-31(28,29)16-10-8-15(9-11-16)20(26)22-13-17-19(21(27)30-3)18-7-5-6-12-25(18)23-17/h8-11,14,24H,4-7,12-13H2,1-3H3,(H,22,26)
InChIKeyWGYHGGAKGGJFRM-UHFFFAOYSA-N
XLogP2.01
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[(4-fluoro-2-methylsulfanylbenzoyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167760947
methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 75176163
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 2-[[(5-chloro-4-methylpyridine-3-carbonyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 167747210
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 46494464
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 8954915
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-butan-2-yl]sulfamoyl]benzamide
CID 9314645
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119478111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 167838131) is methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nn3c(c2C(=O)OC)CCCC3)cc1.
What is the InChIKey of methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is WGYHGGAKGGJFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-4-14(2)24-31(28,29)16-10-8-15(9-11-16)20(26)22-13-17-19(21(27)30-3)18-7-5-6-12-25(18)23-17/h8-11,14,24H,4-7,12-13H2,1-3H3,(H,22,26).
What are the key properties of methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 448.55 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167838131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).