1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

C17H26N4O3S — CID 45201439

IUPAC1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)N1CCc2[nH]nc(C3CCC3)c2C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N4O3S/c1-20(13-6-8-25(23,24)11-13)10-16(22)21-7-5-15-14(9-21)17(19-18-15)12-3-2-4-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyMKJGWOOTKKFOPH-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.68
Rot. Bonds4

About 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (PubChem CID 45201439) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
PubChem CID45201439
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)N1CCc2[nH]nc(C3CCC3)c2C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N4O3S/c1-20(13-6-8-25(23,24)11-13)10-16(22)21-7-5-15-14(9-21)17(19-18-15)12-3-2-4-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyMKJGWOOTKKFOPH-UHFFFAOYSA-N
XLogP0.68
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone with MolForge

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Related Compounds

1-(3-Cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 30897847
1-(3-Cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 31162313
(4aS*,7aR*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70715648
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 126443102
1-[(5aS,8aR)-3-(trifluoromethyl)-4,5,5a,6,8,8a-hexahydro-1H-pyrrolo[3,4-g]indazol-7-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 110217995
1-[4-[3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 137863009
5-[(1,1-dioxidotetrahydro-3-thienyl)acetyl]-3-(3-methylbutyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 45199389
(1,1-dioxidotetrahydro-3-thienyl)[2-(3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]methylamine
CID 45238102
N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 71871683
2-methyl-1-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]propan-1-one
CID 77901213
N-[3-(3-cyclopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]-N-methyltetrahydrothiophen-3-amine 1,1-dioxide
CID 91770594
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-(3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 28735993

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (CID 45201439) is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.
What is the SMILES notation for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The canonical SMILES for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is CN(CC(=O)N1CCc2[nH]nc(C3CCC3)c2C1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The InChIKey is MKJGWOOTKKFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-20(13-6-8-25(23,24)11-13)10-16(22)21-7-5-15-14(9-21)17(19-18-15)12-3-2-4-12/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone has a molecular weight of 366.49 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is sourced from PubChem (CID 45201439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).