N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine

C21H21FN6S — CID 153383583

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCn1cc2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(F)c2n1
InChIInChI=1S/C21H21FN6S/c1-28-10-12-4-11(5-16(22)20(12)27-28)17-8-19-18(9-23-17)26-21(29-19)25-15-6-13-2-3-14(7-15)24-13/h4-5,8-10,13-15,24H,2-3,6-7H2,1H3,(H,25,26)
InChIKeyIVZLQDZURBAVOM-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.08
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 153383583) has the molecular formula C21H21FN6S and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID153383583
Molecular FormulaC21H21FN6S
Molecular Weight408.51 g/mol
Exact Mass408.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCn1cc2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(F)c2n1
InChIInChI=1S/C21H21FN6S/c1-28-10-12-4-11(5-16(22)20(12)27-28)17-8-19-18(9-23-17)26-21(29-19)25-15-6-13-2-3-14(7-15)24-13/h4-5,8-10,13-15,24H,2-3,6-7H2,1H3,(H,25,26)
InChIKeyIVZLQDZURBAVOM-UHFFFAOYSA-N
XLogP4.08
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 153383583) is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is Cn1cc2cc(-c3cc4sc(NC5CC6CCC(C5)N6)nc4cn3)cc(F)c2n1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is IVZLQDZURBAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6S/c1-28-10-12-4-11(5-16(22)20(12)27-28)17-8-19-18(9-23-17)26-21(29-19)25-15-6-13-2-3-14(7-15)24-13/h4-5,8-10,13-15,24H,2-3,6-7H2,1H3,(H,25,26).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 408.51 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 153383583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).