N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C18H28N6O4S — CID 166620286

IUPACN-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC=CCN1CCC[C@H]1C(=O)N1CCc2c(C(=O)NCCS(=O)(=O)NC)n[nH]c2C1
InChIInChI=1S/C18H28N6O4S/c1-3-8-23-9-4-5-15(23)18(26)24-10-6-13-14(12-24)21-22-16(13)17(25)20-7-11-29(27,28)19-2/h3,15,19H,1,4-12H2,2H3,(H,20,25)(H,21,22)/t15-/m0/s1
InChIKeyYOVXMRGVJAXGQC-HNNXBMFYSA-N
MW424.53 g/mol
LogP-0.78
Rot. Bonds8

About N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166620286) has the molecular formula C18H28N6O4S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166620286
Molecular FormulaC18H28N6O4S
Molecular Weight424.53 g/mol
Exact Mass424.19
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC=CCN1CCC[C@H]1C(=O)N1CCc2c(C(=O)NCCS(=O)(=O)NC)n[nH]c2C1
InChIInChI=1S/C18H28N6O4S/c1-3-8-23-9-4-5-15(23)18(26)24-10-6-13-14(12-24)21-22-16(13)17(25)20-7-11-29(27,28)19-2/h3,15,19H,1,4-12H2,2H3,(H,20,25)(H,21,22)/t15-/m0/s1
InChIKeyYOVXMRGVJAXGQC-HNNXBMFYSA-N
XLogP-0.78
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166620286) is N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is C=CCN1CCC[C@H]1C(=O)N1CCc2c(C(=O)NCCS(=O)(=O)NC)n[nH]c2C1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YOVXMRGVJAXGQC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N6O4S/c1-3-8-23-9-4-5-15(23)18(26)24-10-6-13-14(12-24)21-22-16(13)17(25)20-7-11-29(27,28)19-2/h3,15,19H,1,4-12H2,2H3,(H,20,25)(H,21,22)/t15-/m0/s1.
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of -0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-6-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166620286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).