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

C24H29FN6S — CID 150332059

IUPAC6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCN1C(C)(C)CC(Nc2nc3cnc(-c4cc(F)c5nn(C)cc5c4)cc3s2)CC1(C)C
InChIInChI=1S/C24H29FN6S/c1-23(2)10-16(11-24(3,4)31(23)6)27-22-28-19-12-26-18(9-20(19)32-22)14-7-15-13-30(5)29-21(15)17(25)8-14/h7-9,12-13,16H,10-11H2,1-6H3,(H,27,28)
InChIKeyGPWMDRPVPZQPEL-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.45
Rot. Bonds3

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

6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 150332059) has the molecular formula C24H29FN6S and a molecular weight of 452.60 g/mol. Its IUPAC name is 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID150332059
Molecular FormulaC24H29FN6S
Molecular Weight452.60 g/mol
Exact Mass452.22
IUPAC Name6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCN1C(C)(C)CC(Nc2nc3cnc(-c4cc(F)c5nn(C)cc5c4)cc3s2)CC1(C)C
InChIInChI=1S/C24H29FN6S/c1-23(2)10-16(11-24(3,4)31(23)6)27-22-28-19-12-26-18(9-20(19)32-22)14-7-15-13-30(5)29-21(15)17(25)8-14/h7-9,12-13,16H,10-11H2,1-6H3,(H,27,28)
InChIKeyGPWMDRPVPZQPEL-UHFFFAOYSA-N
XLogP5.45
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 150332059) is 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is CN1C(C)(C)CC(Nc2nc3cnc(-c4cc(F)c5nn(C)cc5c4)cc3s2)CC1(C)C.
What is the InChIKey of 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is GPWMDRPVPZQPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6S/c1-23(2)10-16(11-24(3,4)31(23)6)27-22-28-19-12-26-18(9-20(19)32-22)14-7-15-13-30(5)29-21(15)17(25)8-14/h7-9,12-13,16H,10-11H2,1-6H3,(H,27,28).
What are the key properties of 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 452.60 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-2-methylindazol-5-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 150332059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).