[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C20H24N6O4S — CID 92581130

IUPAC[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)on1
InChIInChI=1S/C20H24N6O4S/c1-14(2)16-12-17(30-23-16)20(27)25-8-10-26(11-9-25)31(28,29)18-13-24(3)22-19(18)15-4-6-21-7-5-15/h4-7,12-14H,8-11H2,1-3H3
InChIKeyBMNSYFLLOLJHKZ-UHFFFAOYSA-N
MW444.52 g/mol
LogP1.74
Rot. Bonds5

About [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 92581130) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID92581130
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)on1
InChIInChI=1S/C20H24N6O4S/c1-14(2)16-12-17(30-23-16)20(27)25-8-10-26(11-9-25)31(28,29)18-13-24(3)22-19(18)15-4-6-21-7-5-15/h4-7,12-14H,8-11H2,1-3H3
InChIKeyBMNSYFLLOLJHKZ-UHFFFAOYSA-N
XLogP1.74
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 92581130) is [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)on1.
What is the InChIKey of [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is BMNSYFLLOLJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-14(2)16-12-17(30-23-16)20(27)25-8-10-26(11-9-25)31(28,29)18-13-24(3)22-19(18)15-4-6-21-7-5-15/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 444.52 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 92581130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).