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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

C24H28N6S — CID 151013143

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(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
SMILESCc1cn2cc(-c3cc4sc(N(C)C5CC6CCCC(C5)N6)nc4cn3)cc(C)c2n1
InChIInChI=1S/C24H28N6S/c1-14-7-16(13-30-12-15(2)26-23(14)30)20-10-22-21(11-25-20)28-24(31-22)29(3)19-8-17-5-4-6-18(9-19)27-17/h7,10-13,17-19,27H,4-6,8-9H2,1-3H3
InChIKeyLWNBJQBMAPRYAO-UHFFFAOYSA-N
MW432.60 g/mol
LogP4.73
Rot. Bonds3

About 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

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 (PubChem CID 151013143) has the molecular formula C24H28N6S and a molecular weight of 432.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID151013143
Molecular FormulaC24H28N6S
Molecular Weight432.60 g/mol
Exact Mass432.21
IUPAC NameN-(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
SMILESCc1cn2cc(-c3cc4sc(N(C)C5CC6CCCC(C5)N6)nc4cn3)cc(C)c2n1
InChIInChI=1S/C24H28N6S/c1-14-7-16(13-30-12-15(2)26-23(14)30)20-10-22-21(11-25-20)28-24(31-22)29(3)19-8-17-5-4-6-18(9-19)27-17/h7,10-13,17-19,27H,4-6,8-9H2,1-3H3
InChIKeyLWNBJQBMAPRYAO-UHFFFAOYSA-N
XLogP4.73
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2cc(-c3cc4sc(N(C)C5CC6CCCC(C5)N6)nc4cn3)cc(C)c2n1.
What is the InChIKey of 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?
The InChIKey is LWNBJQBMAPRYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6S/c1-14-7-16(13-30-12-15(2)26-23(14)30)20-10-22-21(11-25-20)28-24(31-22)29(3)19-8-17-5-4-6-18(9-19)27-17/h7,10-13,17-19,27H,4-6,8-9H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 432.60 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 151013143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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