5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

C27H33N7O2 — CID 139536851

IUPAC5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1nc2c(C)cc(-c3ccc(-c4cnc(N(C)C5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)nc2o1
InChIInChI=1S/C27H33N7O2/c1-15-10-20(30-24-23(15)29-16(2)36-24)17-8-9-19(22(35)11-17)21-14-28-25(32-31-21)34(7)18-12-26(3,4)33-27(5,6)13-18/h8-11,14,18,33,35H,12-13H2,1-7H3
InChIKeyFPYOMQWLSUCCFM-UHFFFAOYSA-N
MW487.61 g/mol
LogP4.81
Rot. Bonds4

About 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol

5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 139536851) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID139536851
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1nc2c(C)cc(-c3ccc(-c4cnc(N(C)C5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)nc2o1
InChIInChI=1S/C27H33N7O2/c1-15-10-20(30-24-23(15)29-16(2)36-24)17-8-9-19(22(35)11-17)21-14-28-25(32-31-21)34(7)18-12-26(3,4)33-27(5,6)13-18/h8-11,14,18,33,35H,12-13H2,1-7H3
InChIKeyFPYOMQWLSUCCFM-UHFFFAOYSA-N
XLogP4.81
TPSA113.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 139536851) is 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is Cc1nc2c(C)cc(-c3ccc(-c4cnc(N(C)C5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)nc2o1.
What is the InChIKey of 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is FPYOMQWLSUCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-15-10-20(30-24-23(15)29-16(2)36-24)17-8-9-19(22(35)11-17)21-14-28-25(32-31-21)34(7)18-12-26(3,4)33-27(5,6)13-18/h8-11,14,18,33,35H,12-13H2,1-7H3.
What are the key properties of 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 487.61 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 139536851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).