N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide

C21H24N4OS — CID 69371162

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide
SMILESCc1ccc(C2=CCC3=NN=C(C(=O)NC4CC5CCC(C4)N5C)C3=C2)s1
InChIInChI=1S/C21H24N4OS/c1-12-3-8-19(27-12)13-4-7-18-17(9-13)20(24-23-18)21(26)22-14-10-15-5-6-16(11-14)25(15)2/h3-4,8-9,14-16H,5-7,10-11H2,1-2H3,(H,22,26)
InChIKeyMZXPAIWARQHMLC-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.32
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide (PubChem CID 69371162) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide
PubChem CID69371162
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide
SMILESCc1ccc(C2=CCC3=NN=C(C(=O)NC4CC5CCC(C4)N5C)C3=C2)s1
InChIInChI=1S/C21H24N4OS/c1-12-3-8-19(27-12)13-4-7-18-17(9-13)20(24-23-18)21(26)22-14-10-15-5-6-16(11-14)25(15)2/h3-4,8-9,14-16H,5-7,10-11H2,1-2H3,(H,22,26)
InChIKeyMZXPAIWARQHMLC-UHFFFAOYSA-N
XLogP3.32
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide (CID 69371162) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide is Cc1ccc(C2=CCC3=NN=C(C(=O)NC4CC5CCC(C4)N5C)C3=C2)s1.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide?
The InChIKey is MZXPAIWARQHMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-12-3-8-19(27-12)13-4-7-18-17(9-13)20(24-23-18)21(26)22-14-10-15-5-6-16(11-14)25(15)2/h3-4,8-9,14-16H,5-7,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(5-methylthiophen-2-yl)-7H-indazole-3-carboxamide is sourced from PubChem (CID 69371162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).