1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one

C17H26N4O3S — CID 91770594

IUPAC1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
SMILESCN(CCC(=O)N1CCc2[nH]nc(C3CC3)c2C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N4O3S/c1-20(13-6-9-25(23,24)11-13)7-5-16(22)21-8-4-15-14(10-21)17(19-18-15)12-2-3-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyUSDXTYJCAVRAMJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.68
Rot. Bonds5

About 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one

1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one (PubChem CID 91770594) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
PubChem CID91770594
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
SMILESCN(CCC(=O)N1CCc2[nH]nc(C3CC3)c2C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N4O3S/c1-20(13-6-9-25(23,24)11-13)7-5-16(22)21-8-4-15-14(10-21)17(19-18-15)12-2-3-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyUSDXTYJCAVRAMJ-UHFFFAOYSA-N
XLogP0.68
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one?
The IUPAC name of 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one (CID 91770594) is 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one.
What is the SMILES notation for 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one?
The canonical SMILES for 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one is CN(CCC(=O)N1CCc2[nH]nc(C3CC3)c2C1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one?
The InChIKey is USDXTYJCAVRAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-20(13-6-9-25(23,24)11-13)7-5-16(22)21-8-4-15-14(10-21)17(19-18-15)12-2-3-12/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one?
1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one has a molecular weight of 366.49 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one is sourced from PubChem (CID 91770594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).