6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine

C24H27F2N7S — CID 151863109

IUPAC6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
SMILESCN(c1nc2ncc(-c3ccc(-c4cn[nH]c4)c(F)c3F)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H27F2N7S/c1-23(2)8-14(9-24(3,4)32-23)33(5)22-31-20-21(34-22)30-17(12-27-20)16-7-6-15(18(25)19(16)26)13-10-28-29-11-13/h6-7,10-12,14,32H,8-9H2,1-5H3,(H,28,29)
InChIKeySLCTVVGIZHHYEN-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.17
Rot. Bonds4

About 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine

6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine (PubChem CID 151863109) has the molecular formula C24H27F2N7S and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound Name6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
PubChem CID151863109
Molecular FormulaC24H27F2N7S
Molecular Weight483.59 g/mol
Exact Mass483.20
IUPAC Name6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
SMILESCN(c1nc2ncc(-c3ccc(-c4cn[nH]c4)c(F)c3F)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H27F2N7S/c1-23(2)8-14(9-24(3,4)32-23)33(5)22-31-20-21(34-22)30-17(12-27-20)16-7-6-15(18(25)19(16)26)13-10-28-29-11-13/h6-7,10-12,14,32H,8-9H2,1-5H3,(H,28,29)
InChIKeySLCTVVGIZHHYEN-UHFFFAOYSA-N
XLogP5.17
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine with MolForge

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Related Compounds

2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150471037
5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 142747413
N-methyl-2-[5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492651
N-methyl-2-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492768
N-methyl-2-[2-(1H-pyrazol-4-yl)pyrimidin-5-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine
CID 162492588
N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine
CID 153383782
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 150126397
2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine
CID 139535247
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 160920826
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162433231
3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611482
5-[2,5-dichloro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine
CID 139535579

Frequently Asked Questions

What is the IUPAC name of 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The IUPAC name of 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine (CID 151863109) is 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The canonical SMILES for 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine is CN(c1nc2ncc(-c3ccc(-c4cn[nH]c4)c(F)c3F)nc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The InChIKey is SLCTVVGIZHHYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7S/c1-23(2)8-14(9-24(3,4)32-23)33(5)22-31-20-21(34-22)30-17(12-27-20)16-7-6-15(18(25)19(16)26)13-10-28-29-11-13/h6-7,10-12,14,32H,8-9H2,1-5H3,(H,28,29).
What are the key properties of 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine has a molecular weight of 483.59 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 151863109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).