1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide

C17H21N5O3S — CID 70716810

IUPAC1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCNC2)C1Cc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C17H21N5O3S/c23-17(15-8-12-4-1-2-5-16(12)26(24,25)21-15)19-10-13-9-14-11-18-6-3-7-22(14)20-13/h1-2,4-5,9,15,18,21H,3,6-8,10-11H2,(H,19,23)
InChIKeyFIVMIYIGAVTZMT-UHFFFAOYSA-N
MW375.45 g/mol
LogP-0.10
Rot. Bonds3

About 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide

1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 70716810) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID70716810
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCNC2)C1Cc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C17H21N5O3S/c23-17(15-8-12-4-1-2-5-16(12)26(24,25)21-15)19-10-13-9-14-11-18-6-3-7-22(14)20-13/h1-2,4-5,9,15,18,21H,3,6-8,10-11H2,(H,19,23)
InChIKeyFIVMIYIGAVTZMT-UHFFFAOYSA-N
XLogP-0.10
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide with MolForge

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Related Compounds

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CID 138756828
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CID 5307103
2-(3,4-dimethyl-5,5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4h)-yl)-N-phenylacetamide
CID 76330798
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4787528
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7586484
3-methyl-1-(piperidin-3-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10928313
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307629
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25163266
N~1~-cycloheptyl-N~2~-(4-methylphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3236369
N-[2-(3-methylphenyl)ethyl]-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3238469
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 5308465

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide (CID 70716810) is 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide is O=C(NCc1cc2n(n1)CCCNC2)C1Cc2ccccc2S(=O)(=O)N1.
What is the InChIKey of 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is FIVMIYIGAVTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c23-17(15-8-12-4-1-2-5-16(12)26(24,25)21-15)19-10-13-9-14-11-18-6-3-7-22(14)20-13/h1-2,4-5,9,15,18,21H,3,6-8,10-11H2,(H,19,23).
What are the key properties of 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide?
1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 70716810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).