[3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C19H25N5O3S — CID 110244861

IUPAC[3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(C3Nc4ccccc4S(=O)(=O)N3)C2)n[nH]1
InChIInChI=1S/C19H25N5O3S/c1-12(2)15-10-16(22-21-15)19(25)24-9-5-6-13(11-24)18-20-14-7-3-4-8-17(14)28(26,27)23-18/h3-4,7-8,10,12-13,18,20,23H,5-6,9,11H2,1-2H3,(H,21,22)
InChIKeyFTDAVGJVQCMGLQ-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.12
Rot. Bonds3

About [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 110244861) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID110244861
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name[3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(C3Nc4ccccc4S(=O)(=O)N3)C2)n[nH]1
InChIInChI=1S/C19H25N5O3S/c1-12(2)15-10-16(22-21-15)19(25)24-9-5-6-13(11-24)18-20-14-7-3-4-8-17(14)28(26,27)23-18/h3-4,7-8,10,12-13,18,20,23H,5-6,9,11H2,1-2H3,(H,21,22)
InChIKeyFTDAVGJVQCMGLQ-UHFFFAOYSA-N
XLogP2.12
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(3S)-3-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidine-1-carbonyl]benzoate
CID 92610599
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95225899
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734898
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734821
3-piperidin-4-yl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110225881
[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110220064
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479473
(3-fluorophenyl)-[4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 60506705
(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 124681565

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 110244861) is [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCCC(C3Nc4ccccc4S(=O)(=O)N3)C2)n[nH]1.
What is the InChIKey of [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is FTDAVGJVQCMGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-12(2)15-10-16(22-21-15)19(25)24-9-5-6-13(11-24)18-20-14-7-3-4-8-17(14)28(26,27)23-18/h3-4,7-8,10,12-13,18,20,23H,5-6,9,11H2,1-2H3,(H,21,22).
What are the key properties of [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 403.51 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110244861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).