5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

C16H17BrN4OS — CID 155287799

IUPAC5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1cc2cc(Br)cnc2s1
InChIInChI=1S/C16H17BrN4OS/c1-16(2,3)12-7-13(21(4)20-12)19-14(22)11-6-9-5-10(17)8-18-15(9)23-11/h5-8H,1-4H3,(H,19,22)
InChIKeyMGDUYJPGBUXDKR-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.34
Rot. Bonds2

About 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155287799) has the molecular formula C16H17BrN4OS and a molecular weight of 393.31 g/mol. Its IUPAC name is 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155287799
Molecular FormulaC16H17BrN4OS
Molecular Weight393.31 g/mol
Exact Mass392.03
IUPAC Name5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1cc2cc(Br)cnc2s1
InChIInChI=1S/C16H17BrN4OS/c1-16(2,3)12-7-13(21(4)20-12)19-14(22)11-6-9-5-10(17)8-18-15(9)23-11/h5-8H,1-4H3,(H,19,22)
InChIKeyMGDUYJPGBUXDKR-UHFFFAOYSA-N
XLogP4.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287783
5-bromo-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287668
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
CID 166406116
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide
CID 22110535
5-bromo-2-ethylthieno[2,3-b]pyridine
CID 91250034
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740710
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 2811926
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 155287799) is 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)c1cc2cc(Br)cnc2s1.
What is the InChIKey of 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MGDUYJPGBUXDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4OS/c1-16(2,3)12-7-13(21(4)20-12)19-14(22)11-6-9-5-10(17)8-18-15(9)23-11/h5-8H,1-4H3,(H,19,22).
What are the key properties of 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide?
5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-tert-butyl-1-methylpyrazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155287799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).