N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C20H17FN4O2S — CID 171706266

IUPACN-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1n[nH]c2c1CCN(C(=O)c1cc3cc(F)ccc3s1)C2
InChIInChI=1S/C20H17FN4O2S/c1-3-11(2)22-19(26)18-14-6-7-25(10-15(14)23-24-18)20(27)17-9-12-8-13(21)4-5-16(12)28-17/h1,4-5,8-9,11H,6-7,10H2,2H3,(H,22,26)(H,23,24)
InChIKeyLYPXNOUFWZIABM-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.71
Rot. Bonds3

About N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171706266) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171706266
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1n[nH]c2c1CCN(C(=O)c1cc3cc(F)ccc3s1)C2
InChIInChI=1S/C20H17FN4O2S/c1-3-11(2)22-19(26)18-14-6-7-25(10-15(14)23-24-18)20(27)17-9-12-8-13(21)4-5-16(12)28-17/h1,4-5,8-9,11H,6-7,10H2,2H3,(H,22,26)(H,23,24)
InChIKeyLYPXNOUFWZIABM-UHFFFAOYSA-N
XLogP2.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166612865
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119518600
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121017170
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166621788
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 119636905
6-fluoro-N-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 113090116
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 9309655
(5-fluoro-1-benzothiophen-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 31114232
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 9309654

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171706266) is N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is C#CC(C)NC(=O)c1n[nH]c2c1CCN(C(=O)c1cc3cc(F)ccc3s1)C2.
What is the InChIKey of N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is LYPXNOUFWZIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-3-11(2)22-19(26)18-14-6-7-25(10-15(14)23-24-18)20(27)17-9-12-8-13(21)4-5-16(12)28-17/h1,4-5,8-9,11H,6-7,10H2,2H3,(H,22,26)(H,23,24).
What are the key properties of N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171706266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).