5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide

C22H19N5O4S — CID 56573589

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccnc2ccnn12
InChIInChI=1S/C22H19N5O4S/c1-31-19-7-6-16(32(29,30)26-13-10-15-4-2-3-5-18(15)26)14-17(19)22(28)25-21-8-11-23-20-9-12-24-27(20)21/h2-9,11-12,14H,10,13H2,1H3,(H,25,28)
InChIKeyZBDWDOODXVLCSM-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.74
Rot. Bonds5

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide (PubChem CID 56573589) has the molecular formula C22H19N5O4S and a molecular weight of 449.49 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
PubChem CID56573589
Molecular FormulaC22H19N5O4S
Molecular Weight449.49 g/mol
Exact Mass449.12
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccnc2ccnn12
InChIInChI=1S/C22H19N5O4S/c1-31-19-7-6-16(32(29,30)26-13-10-15-4-2-3-5-18(15)26)14-17(19)22(28)25-21-8-11-23-20-9-12-24-27(20)21/h2-9,11-12,14H,10,13H2,1H3,(H,25,28)
InChIKeyZBDWDOODXVLCSM-UHFFFAOYSA-N
XLogP2.74
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 5094355
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
ethyl 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]amino]thiadiazole-4-carboxylate
CID 55671175
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 41152863
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55993117
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2638520
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide (CID 56573589) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccnc2ccnn12.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
The InChIKey is ZBDWDOODXVLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S/c1-31-19-7-6-16(32(29,30)26-13-10-15-4-2-3-5-18(15)26)14-17(19)22(28)25-21-8-11-23-20-9-12-24-27(20)21/h2-9,11-12,14H,10,13H2,1H3,(H,25,28).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide has a molecular weight of 449.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-pyrazolo[1,5-a]pyrimidin-7-ylbenzamide is sourced from PubChem (CID 56573589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).