4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide

C17H19N5OS — CID 69063521

IUPAC4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2n[nH]c3cc(-c4ccsc4)ccc23)CC1
InChIInChI=1S/C17H19N5OS/c1-21-5-7-22(8-6-21)17(23)18-16-14-3-2-12(10-15(14)19-20-16)13-4-9-24-11-13/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20,23)
InChIKeyNMCCFEVAPIVQDI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.07
Rot. Bonds2

About 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide

4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide (PubChem CID 69063521) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide
PubChem CID69063521
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2n[nH]c3cc(-c4ccsc4)ccc23)CC1
InChIInChI=1S/C17H19N5OS/c1-21-5-7-22(8-6-21)17(23)18-16-14-3-2-12(10-15(14)19-20-16)13-4-9-24-11-13/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20,23)
InChIKeyNMCCFEVAPIVQDI-UHFFFAOYSA-N
XLogP3.07
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide (CID 69063521) is 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide is CN1CCN(C(=O)Nc2n[nH]c3cc(-c4ccsc4)ccc23)CC1.
What is the InChIKey of 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide?
The InChIKey is NMCCFEVAPIVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-21-5-7-22(8-6-21)17(23)18-16-14-3-2-12(10-15(14)19-20-16)13-4-9-24-11-13/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20,23).
What are the key properties of 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide?
4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 69063521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).