5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C25H27N7O2S2 — CID 77261156

About 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 77261156) has the molecular formula C25H27N7O2S2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 77261156
• Molecular Formula: C25H27N7O2S2
• Molecular Weight: 521.67 g/mol
• Exact Mass: 521.17
• IUPAC Name: 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)c1c(C2CC3CCC(C2)N3)nc2c(-c3ccc(-c4nc5c(s4)CCC5)nc3)cnn2c1N
• InChI: InChI=1S/C25H27N7O2S2/c1-36(33,34)22-21(14-9-15-6-7-16(10-14)29-15)31-24-17(12-28-32(24)23(22)26)13-5-8-19(27-11-13)25-30-18-3-2-4-20(18)35-25/h5,8,11-12,14-16,29H,2-4,6-7,9-10,26H2,1H3
• InChIKey: VRMIKTVWJNZLJU-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 128.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.67
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 77261156) is 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1c(C2CC3CCC(C2)N3)nc2c(-c3ccc(-c4nc5c(s4)CCC5)nc3)cnn2c1N.

What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is VRMIKTVWJNZLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S2/c1-36(33,34)22-21(14-9-15-6-7-16(10-14)29-15)31-24-17(12-28-32(24)23(22)26)13-5-8-19(27-11-13)25-30-18-3-2-4-20(18)35-25/h5,8,11-12,14-16,29H,2-4,6-7,9-10,26H2,1H3.

What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?

5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 521.67 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-azabicyclo[3.2.1]octan-3-yl)-3-[6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 77261156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).