N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide

C15H14N4OS — CID 52790833

IUPACN-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCCSc1ccc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C15H14N4OS/c1-2-21-13-8-7-10(9-16-13)17-15(20)14-11-5-3-4-6-12(11)18-19-14/h3-9H,2H2,1H3,(H,17,20)(H,18,19)
InChIKeyUIFWFTRJZIYYNQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.32
Rot. Bonds4

About N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide

N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 52790833) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID52790833
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCCSc1ccc(NC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C15H14N4OS/c1-2-21-13-8-7-10(9-16-13)17-15(20)14-11-5-3-4-6-12(11)18-19-14/h3-9H,2H2,1H3,(H,17,20)(H,18,19)
InChIKeyUIFWFTRJZIYYNQ-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 52790833) is N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide is CCSc1ccc(NC(=O)c2n[nH]c3ccccc23)cn1.
What is the InChIKey of N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is UIFWFTRJZIYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-21-13-8-7-10(9-16-13)17-15(20)14-11-5-3-4-6-12(11)18-19-14/h3-9H,2H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 52790833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).