5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C24H28N6O3S — CID 53310547

IUPAC5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCN(C)CCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1
InChIInChI=1S/C24H28N6O3S/c1-28(2)10-5-11-30-16-19(15-26-30)18-12-22-23(25-14-18)9-7-17-6-8-20(13-21(17)24(22)31)27-34(32,33)29(3)4/h6-9,12-16,27H,5,10-11H2,1-4H3
InChIKeyQIESUVSXDMQLDD-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.78
Rot. Bonds8

About 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 53310547) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID53310547
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCN(C)CCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1
InChIInChI=1S/C24H28N6O3S/c1-28(2)10-5-11-30-16-19(15-26-30)18-12-22-23(25-14-18)9-7-17-6-8-20(13-21(17)24(22)31)27-34(32,33)29(3)4/h6-9,12-16,27H,5,10-11H2,1-4H3
InChIKeyQIESUVSXDMQLDD-UHFFFAOYSA-N
XLogP2.78
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 53310547) is 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is CN(C)CCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1.
What is the InChIKey of 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is QIESUVSXDMQLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-28(2)10-5-11-30-16-19(15-26-30)18-12-22-23(25-14-18)9-7-17-6-8-20(13-21(17)24(22)31)27-34(32,33)29(3)4/h6-9,12-16,27H,5,10-11H2,1-4H3.
What are the key properties of 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 480.59 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-14-(dimethylsulfamoylamino)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 53310547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).