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

C26H30N6O3S — CID 53310824

IUPAC14-(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
SMILESCCN1CCC(n2cc(-c3cnc4ccc5ccc(NS(=O)(=O)N(C)C)cc5c(=O)c4c3)cn2)CC1
InChIInChI=1S/C26H30N6O3S/c1-4-31-11-9-22(10-12-31)32-17-20(16-28-32)19-13-24-25(27-15-19)8-6-18-5-7-21(14-23(18)26(24)33)29-36(34,35)30(2)3/h5-8,13-17,22,29H,4,9-12H2,1-3H3
InChIKeyFCVDFZKBPJWGKX-UHFFFAOYSA-N
MW506.63 g/mol
LogP3.49
Rot. Bonds6

About 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

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 (PubChem CID 53310824) has the molecular formula C26H30N6O3S and a molecular weight of 506.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-(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
PubChem CID53310824
Molecular FormulaC26H30N6O3S
Molecular Weight506.63 g/mol
Exact Mass506.21
IUPAC Name14-(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
SMILESCCN1CCC(n2cc(-c3cnc4ccc5ccc(NS(=O)(=O)N(C)C)cc5c(=O)c4c3)cn2)CC1
InChIInChI=1S/C26H30N6O3S/c1-4-31-11-9-22(10-12-31)32-17-20(16-28-32)19-13-24-25(27-15-19)8-6-18-5-7-21(14-23(18)26(24)33)29-36(34,35)30(2)3/h5-8,13-17,22,29H,4,9-12H2,1-3H3
InChIKeyFCVDFZKBPJWGKX-UHFFFAOYSA-N
XLogP3.49
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

Mk-2461
CID 44137946
Mk-8033
CID 45142457
1-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)methanesulfonamide
CID 71601483
3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
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-[(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
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
N-(2-oxo-5-pyridin-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
CID 15981108

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(n2cc(-c3cnc4ccc5ccc(NS(=O)(=O)N(C)C)cc5c(=O)c4c3)cn2)CC1.
What is the InChIKey of 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?
The InChIKey is FCVDFZKBPJWGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3S/c1-4-31-11-9-22(10-12-31)32-17-20(16-28-32)19-13-24-25(27-15-19)8-6-18-5-7-21(14-23(18)26(24)33)29-36(34,35)30(2)3/h5-8,13-17,22,29H,4,9-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 506.63 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 53310824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).