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

C25H30N6OS — CID 150471037

IUPAC2-[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
SMILESCN(c1nc2cnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H30N6OS/c1-24(2)10-17(11-25(3,4)30-24)31(5)23-29-20-14-26-19(9-22(20)33-23)18-7-6-15(8-21(18)32)16-12-27-28-13-16/h6-9,12-14,17,30,32H,10-11H2,1-5H3,(H,27,28)
InChIKeyHRULIUSKDJAFKS-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.20
Rot. Bonds4

About 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

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 (PubChem CID 150471037) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID150471037
Molecular FormulaC25H30N6OS
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC Name2-[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
SMILESCN(c1nc2cnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H30N6OS/c1-24(2)10-17(11-25(3,4)30-24)31(5)23-29-20-14-26-19(9-22(20)33-23)18-7-6-15(8-21(18)32)16-12-27-28-13-16/h6-9,12-14,17,30,32H,10-11H2,1-5H3,(H,27,28)
InChIKeyHRULIUSKDJAFKS-UHFFFAOYSA-N
XLogP5.20
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1nc2cnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is HRULIUSKDJAFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6OS/c1-24(2)10-17(11-25(3,4)30-24)31(5)23-29-20-14-26-19(9-22(20)33-23)18-7-6-15(8-21(18)32)16-12-27-28-13-16/h6-9,12-14,17,30,32H,10-11H2,1-5H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 462.62 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 150471037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).