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

C22H23N5O3S — CID 53310828

IUPAC14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIInChI=1S/C22H23N5O3S/c1-4-27(5-2)31(29,30)25-18-8-6-15-7-9-21-20(22(28)19(15)11-18)10-16(12-23-21)17-13-24-26(3)14-17/h6-14,25H,4-5H2,1-3H3
InChIKeyAEOVORPOZVUOMW-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.15
Rot. Bonds6

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

14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 53310828) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID53310828
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIInChI=1S/C22H23N5O3S/c1-4-27(5-2)31(29,30)25-18-8-6-15-7-9-21-20(22(28)19(15)11-18)10-16(12-23-21)17-13-24-26(3)14-17/h6-14,25H,4-5H2,1-3H3
InChIKeyAEOVORPOZVUOMW-UHFFFAOYSA-N
XLogP3.15
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-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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Related Compounds

Mk-2461
CID 44137946
Mk-8033
CID 45142457
Safimaltib
CID 134609793
14-Amino-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 16036535
1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridazin-3-ylmethyl)methanesulfonamide
CID 25013686
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
N-[(2r)-1,4-Dioxan-2-Ylmethyl]-N-Methyl-N'-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}sulfuric Diamide
CID 56593141
14-(Dimethylsulfamoylamino)-5-[1-(2-fluoro-3-hydroxypropyl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 53310690
14-(Dimethylsulfamoylamino)-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 53310824
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 5309500
N-(5-oxo-3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)methanesulfonamide
CID 15981007
N-(2-oxo-5-pyridin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
CID 15981107

Frequently Asked Questions

What is the IUPAC name of 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 53310828) is 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-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 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is CCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1.
What is the InChIKey of 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is AEOVORPOZVUOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-4-27(5-2)31(29,30)25-18-8-6-15-7-9-21-20(22(28)19(15)11-18)10-16(12-23-21)17-13-24-26(3)14-17/h6-14,25H,4-5H2,1-3H3.
What are the key properties of 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-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 437.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(diethylsulfamoylamino)-5-(1-methylpyrazol-4-yl)-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 53310828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).