(1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone

C19H25N5O4S — CID 51596067

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)N[C@H](C1CCN(C(=O)c3cnn(C)c3C)CC1)NS2(=O)=O
InChIInChI=1S/C19H25N5O4S/c1-12-15(11-20-23(12)2)19(25)24-8-6-13(7-9-24)18-21-16-10-14(28-3)4-5-17(16)29(26,27)22-18/h4-5,10-11,13,18,21-22H,6-9H2,1-3H3/t18-/m0/s1
InChIKeyVOFCPSOKZMORLU-SFHVURJKSA-N
MW419.51 g/mol
LogP1.32
Rot. Bonds3

About (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone (PubChem CID 51596067) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone
PubChem CID51596067
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)N[C@H](C1CCN(C(=O)c3cnn(C)c3C)CC1)NS2(=O)=O
InChIInChI=1S/C19H25N5O4S/c1-12-15(11-20-23(12)2)19(25)24-8-6-13(7-9-24)18-21-16-10-14(28-3)4-5-17(16)29(26,27)22-18/h4-5,10-11,13,18,21-22H,6-9H2,1-3H3/t18-/m0/s1
InChIKeyVOFCPSOKZMORLU-SFHVURJKSA-N
XLogP1.32
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone (CID 51596067) is (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone is COc1ccc2c(c1)N[C@H](C1CCN(C(=O)c3cnn(C)c3C)CC1)NS2(=O)=O.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone?
The InChIKey is VOFCPSOKZMORLU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-12-15(11-20-23(12)2)19(25)24-8-6-13(7-9-24)18-21-16-10-14(28-3)4-5-17(16)29(26,27)22-18/h4-5,10-11,13,18,21-22H,6-9H2,1-3H3/t18-/m0/s1.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone has a molecular weight of 419.51 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[4-[(3S)-6-methoxy-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 51596067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).