5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C23H28FN7S — CID 151120214

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28FN7S/c1-22(2)9-15(10-23(3,4)29-22)31(6)21-26-17-11-25-19(27-20(17)32-21)13-7-14-12-30(5)28-18(14)16(24)8-13/h7-8,11-12,15,29H,9-10H2,1-6H3
InChIKeyMSAGDWZPJIWDGA-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.52
Rot. Bonds3

About 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 151120214) has the molecular formula C23H28FN7S and a molecular weight of 453.59 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID151120214
Molecular FormulaC23H28FN7S
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28FN7S/c1-22(2)9-15(10-23(3,4)29-22)31(6)21-26-17-11-25-19(27-20(17)32-21)13-7-14-12-30(5)28-18(14)16(24)8-13/h7-8,11-12,15,29H,9-10H2,1-6H3
InChIKeyMSAGDWZPJIWDGA-UHFFFAOYSA-N
XLogP4.52
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 151120214) is 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is CN(c1nc2cnc(-c3cc(F)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is MSAGDWZPJIWDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7S/c1-22(2)9-15(10-23(3,4)29-22)31(6)21-26-17-11-25-19(27-20(17)32-21)13-7-14-12-30(5)28-18(14)16(24)8-13/h7-8,11-12,15,29H,9-10H2,1-6H3.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 453.59 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 151120214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).