5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one

C19H17N5O3S — CID 53310827

IUPAC5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
SMILESCNS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIInChI=1S/C19H17N5O3S/c1-20-28(26,27)23-15-5-3-12-4-6-18-17(19(25)16(12)8-15)7-13(9-21-18)14-10-22-24(2)11-14/h3-11,20,23H,1-2H3
InChIKeyLPDWDIUXYGHQGU-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.02
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one

5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one (PubChem CID 53310827) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
PubChem CID53310827
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
SMILESCNS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIInChI=1S/C19H17N5O3S/c1-20-28(26,27)23-15-5-3-12-4-6-18-17(19(25)16(12)8-15)7-13(9-21-18)14-10-22-24(2)11-14/h3-11,20,23H,1-2H3
InChIKeyLPDWDIUXYGHQGU-UHFFFAOYSA-N
XLogP2.02
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one (CID 53310827) is 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one is CNS(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
The InChIKey is LPDWDIUXYGHQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-20-28(26,27)23-15-5-3-12-4-6-18-17(19(25)16(12)8-15)7-13(9-21-18)14-10-22-24(2)11-14/h3-11,20,23H,1-2H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one has a molecular weight of 395.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-14-(methylsulfamoylamino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one is sourced from PubChem (CID 53310827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).