5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile

C24H25N7S — CID 150698880

IUPAC5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile
SMILESCN(c1nc2cnc(-c3cc(C#N)c4nn(C)cc4c3)cc2s1)C1CC2CCCC(C1)N2
InChIInChI=1S/C24H25N7S/c1-30-13-16-7-14(6-15(11-25)23(16)29-30)20-10-22-21(12-26-20)28-24(32-22)31(2)19-8-17-4-3-5-18(9-19)27-17/h6-7,10,12-13,17-19,27H,3-5,8-9H2,1-2H3
InChIKeyJLLBOBMSBCLYLJ-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.23
Rot. Bonds3

About 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile

5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile (PubChem CID 150698880) has the molecular formula C24H25N7S and a molecular weight of 443.58 g/mol. Its IUPAC name is 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile
PubChem CID150698880
Molecular FormulaC24H25N7S
Molecular Weight443.58 g/mol
Exact Mass443.19
IUPAC Name5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile
SMILESCN(c1nc2cnc(-c3cc(C#N)c4nn(C)cc4c3)cc2s1)C1CC2CCCC(C1)N2
InChIInChI=1S/C24H25N7S/c1-30-13-16-7-14(6-15(11-25)23(16)29-30)20-10-22-21(12-26-20)28-24(32-22)31(2)19-8-17-4-3-5-18(9-19)27-17/h6-7,10,12-13,17-19,27H,3-5,8-9H2,1-2H3
InChIKeyJLLBOBMSBCLYLJ-UHFFFAOYSA-N
XLogP4.23
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile with MolForge

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Related Compounds

N-(9-azabicyclo[3.3.1]nonan-3-yl)-6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 151013143
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 153382993
2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile
CID 151104199
2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
CID 153383364
5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile
CID 156757731
6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 159909962
6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
CID 153383156
2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
CID 153383267
6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 150652188
3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 150928931
5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
CID 137357468
N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 152719069

Frequently Asked Questions

What is the IUPAC name of 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile?
The IUPAC name of 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile (CID 150698880) is 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile?
The canonical SMILES for 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile is CN(c1nc2cnc(-c3cc(C#N)c4nn(C)cc4c3)cc2s1)C1CC2CCCC(C1)N2.
What is the InChIKey of 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile?
The InChIKey is JLLBOBMSBCLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7S/c1-30-13-16-7-14(6-15(11-25)23(16)29-30)20-10-22-21(12-26-20)28-24(32-22)31(2)19-8-17-4-3-5-18(9-19)27-17/h6-7,10,12-13,17-19,27H,3-5,8-9H2,1-2H3.
What are the key properties of 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile?
5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile has a molecular weight of 443.58 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 150698880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).