N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C23H26FN7S — CID 150218169

About N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 150218169) has the molecular formula C23H26FN7S and a molecular weight of 451.58 g/mol. Its IUPAC name is N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
• PubChem CID: 150218169
• Molecular Formula: C23H26FN7S
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.20
• IUPAC Name: N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
• SMILES: CN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)nc2s1)C1CC2(C)CC[C@](C)(C1)N2
• InChI: InChI=1S/C23H26FN7S/c1-22-5-6-23(2,29-22)10-15(9-22)31(4)21-26-17-11-25-19(27-20(17)32-21)13-7-14-12-30(3)28-18(14)16(24)8-13/h7-8,11-12,15,29H,5-6,9-10H2,1-4H3/t15?,22-,23?/m1/s1
• InChIKey: FSXOUUBOUZSWCW-LAIYQSPOSA-N
• XLogP: 4.28
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?

The IUPAC name of N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 150218169) is N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

What is the SMILES notation for N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?

The canonical SMILES for N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is CN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)nc2s1)C1CC2(C)CC[C@](C)(C1)N2.

What is the InChIKey of N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?

The InChIKey is FSXOUUBOUZSWCW-LAIYQSPOSA-N. The full InChI is InChI=1S/C23H26FN7S/c1-22-5-6-23(2,29-22)10-15(9-22)31(4)21-26-17-11-25-19(27-20(17)32-21)13-7-14-12-30(3)28-18(14)16(24)8-13/h7-8,11-12,15,29H,5-6,9-10H2,1-4H3/t15?,22-,23?/m1/s1.

What are the key properties of N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?

N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 451.58 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 150218169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).