2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

C20H25N5O4S — CID 56553255

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1
InChIInChI=1S/C20H25N5O4S/c1-12-5-6-13(2)17(9-12)30(28,29)22-8-7-21-19(26)10-16-14(3)23-18-11-20(27)24-25(18)15(16)4/h5-6,9,11,22H,7-8,10H2,1-4H3,(H,21,26)(H,24,27)
InChIKeyPTZZDEBXFHNXHJ-UHFFFAOYSA-N
MW431.52 g/mol
LogP0.89
Rot. Bonds7

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 56553255) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID56553255
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1
InChIInChI=1S/C20H25N5O4S/c1-12-5-6-13(2)17(9-12)30(28,29)22-8-7-21-19(26)10-16-14(3)23-18-11-20(27)24-25(18)15(16)4/h5-6,9,11,22H,7-8,10H2,1-4H3,(H,21,26)(H,24,27)
InChIKeyPTZZDEBXFHNXHJ-UHFFFAOYSA-N
XLogP0.89
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 56553255) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is PTZZDEBXFHNXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-12-5-6-13(2)17(9-12)30(28,29)22-8-7-21-19(26)10-16-14(3)23-18-11-20(27)24-25(18)15(16)4/h5-6,9,11,22H,7-8,10H2,1-4H3,(H,21,26)(H,24,27).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 431.52 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 56553255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).