2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C19H23N5O4S — CID 56531804

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1
InChIInChI=1S/C19H23N5O4S/c1-12-4-6-15(7-5-12)29(27,28)21-9-8-20-18(25)10-16-13(2)22-17-11-19(26)23-24(17)14(16)3/h4-7,11,21H,8-10H2,1-3H3,(H,20,25)(H,23,26)
InChIKeyPWGPCSXNRCZGDO-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.59
Rot. Bonds7

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 56531804) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID56531804
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1
InChIInChI=1S/C19H23N5O4S/c1-12-4-6-15(7-5-12)29(27,28)21-9-8-20-18(25)10-16-13(2)22-17-11-19(26)23-24(17)14(16)3/h4-7,11,21H,8-10H2,1-3H3,(H,20,25)(H,23,26)
InChIKeyPWGPCSXNRCZGDO-UHFFFAOYSA-N
XLogP0.59
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.59
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-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 56531804) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)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-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is PWGPCSXNRCZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-12-4-6-15(7-5-12)29(27,28)21-9-8-20-18(25)10-16-13(2)22-17-11-19(26)23-24(17)14(16)3/h4-7,11,21H,8-10H2,1-3H3,(H,20,25)(H,23,26).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 0.59, 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-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 56531804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).