methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C19H23N3O4S — CID 167841760

IUPACmethyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CNS(=O)(=O)c2ccc3c(c2)CCC3)nn2c1CCCC2
InChIInChI=1S/C19H23N3O4S/c1-26-19(23)18-16(21-22-10-3-2-7-17(18)22)12-20-27(24,25)15-9-8-13-5-4-6-14(13)11-15/h8-9,11,20H,2-7,10,12H2,1H3
InChIKeyZCWQLILDCQLZSJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167841760) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167841760
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Namemethyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(CNS(=O)(=O)c2ccc3c(c2)CCC3)nn2c1CCCC2
InChIInChI=1S/C19H23N3O4S/c1-26-19(23)18-16(21-22-10-3-2-7-17(18)22)12-20-27(24,25)15-9-8-13-5-4-6-14(13)11-15/h8-9,11,20H,2-7,10,12H2,1H3
InChIKeyZCWQLILDCQLZSJ-UHFFFAOYSA-N
XLogP1.97
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

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4-(2,3-dihydro-1H-inden-5-ylmethylsulfamoyl)benzoic acid
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N-[[4-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
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CID 26540045
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N-(furan-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 47204540
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136241
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 167841760) is methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(CNS(=O)(=O)c2ccc3c(c2)CCC3)nn2c1CCCC2.
What is the InChIKey of methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is ZCWQLILDCQLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-19(23)18-16(21-22-10-3-2-7-17(18)22)12-20-27(24,25)15-9-8-13-5-4-6-14(13)11-15/h8-9,11,20H,2-7,10,12H2,1H3.
What are the key properties of methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dihydro-1H-inden-5-ylsulfonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167841760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).