(9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

C19H21N5OS — CID 71159364

IUPAC(9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCN1CC2CCCN(C(=O)c3n[nH]c4cc(-c5nccs5)ccc34)CC21
InChIInChI=1S/C19H21N5OS/c1-23-10-13-3-2-7-24(11-16(13)23)19(25)17-14-5-4-12(9-15(14)21-22-17)18-20-6-8-26-18/h4-6,8-9,13,16H,2-3,7,10-11H2,1H3,(H,21,22)
InChIKeyIAZDFXIKXZBFEU-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.85
Rot. Bonds2

About (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

(9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (PubChem CID 71159364) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.

Molecular Properties

Compound Name(9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
PubChem CID71159364
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCN1CC2CCCN(C(=O)c3n[nH]c4cc(-c5nccs5)ccc34)CC21
InChIInChI=1S/C19H21N5OS/c1-23-10-13-3-2-7-24(11-16(13)23)19(25)17-14-5-4-12(9-15(14)21-22-17)18-20-6-8-26-18/h4-6,8-9,13,16H,2-3,7,10-11H2,1H3,(H,21,22)
InChIKeyIAZDFXIKXZBFEU-UHFFFAOYSA-N
XLogP2.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The IUPAC name of (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (CID 71159364) is (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.
What is the SMILES notation for (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The canonical SMILES for (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is CN1CC2CCCN(C(=O)c3n[nH]c4cc(-c5nccs5)ccc34)CC21.
What is the InChIKey of (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The InChIKey is IAZDFXIKXZBFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-23-10-13-3-2-7-24(11-16(13)23)19(25)17-14-5-4-12(9-15(14)21-22-17)18-20-6-8-26-18/h4-6,8-9,13,16H,2-3,7,10-11H2,1H3,(H,21,22).
What are the key properties of (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
(9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone has a molecular weight of 367.48 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3,9-diazabicyclo[5.2.0]nonan-3-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is sourced from PubChem (CID 71159364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).