N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide

C21H27N7O4S — CID 177202774

IUPACN,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(=O)[nH]c4ccnn4c23)CC1
InChIInChI=1S/C21H27N7O4S/c1-21(5-6-21)24-33(31,32)14-12-15-18(28-17(4-7-22-28)23-19(15)29)16(13-14)26-8-10-27(11-9-26)20(30)25(2)3/h4,7,12-13,24H,5-6,8-11H2,1-3H3,(H,23,29)
InChIKeyPPBSCELMBUEHTH-UHFFFAOYSA-N
MW473.56 g/mol
LogP0.81
Rot. Bonds4

About N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide

N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide (PubChem CID 177202774) has the molecular formula C21H27N7O4S and a molecular weight of 473.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
PubChem CID177202774
Molecular FormulaC21H27N7O4S
Molecular Weight473.56 g/mol
Exact Mass473.18
IUPAC NameN,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(=O)[nH]c4ccnn4c23)CC1
InChIInChI=1S/C21H27N7O4S/c1-21(5-6-21)24-33(31,32)14-12-15-18(28-17(4-7-22-28)23-19(15)29)16(13-14)26-8-10-27(11-9-26)20(30)25(2)3/h4,7,12-13,24H,5-6,8-11H2,1-3H3,(H,23,29)
InChIKeyPPBSCELMBUEHTH-UHFFFAOYSA-N
XLogP0.81
TPSA123.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide (CID 177202774) is N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(=O)[nH]c4ccnn4c23)CC1.
What is the InChIKey of N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
The InChIKey is PPBSCELMBUEHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O4S/c1-21(5-6-21)24-33(31,32)14-12-15-18(28-17(4-7-22-28)23-19(15)29)16(13-14)26-8-10-27(11-9-26)20(30)25(2)3/h4,7,12-13,24H,5-6,8-11H2,1-3H3,(H,23,29).
What are the key properties of N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide?
N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[7-[(1-methylcyclopropyl)sulfamoyl]-5-oxo-4H-pyrazolo[1,5-a]quinazolin-9-yl]piperazine-1-carboxamide is sourced from PubChem (CID 177202774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).