5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol

C24H32FN7O — CID 155316061

IUPAC5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol
SMILESCN(c1ncc(-c2ncc(C3=C(F)CCCN=C3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32FN7O/c1-23(2)10-16(11-24(3,4)31-23)32(5)22-28-14-19(29-30-22)21-20(33)9-15(12-27-21)17-13-26-8-6-7-18(17)25/h9,12-14,16,31,33H,6-8,10-11H2,1-5H3
InChIKeySVLJIYOKMYNETH-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.93
Rot. Bonds4

About 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol

5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol (PubChem CID 155316061) has the molecular formula C24H32FN7O and a molecular weight of 453.57 g/mol. Its IUPAC name is 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol
PubChem CID155316061
Molecular FormulaC24H32FN7O
Molecular Weight453.57 g/mol
Exact Mass453.27
IUPAC Name5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol
SMILESCN(c1ncc(-c2ncc(C3=C(F)CCCN=C3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32FN7O/c1-23(2)10-16(11-24(3,4)31-23)32(5)22-28-14-19(29-30-22)21-20(33)9-15(12-27-21)17-13-26-8-6-7-18(17)25/h9,12-14,16,31,33H,6-8,10-11H2,1-5H3
InChIKeySVLJIYOKMYNETH-UHFFFAOYSA-N
XLogP3.93
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol?
The IUPAC name of 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol (CID 155316061) is 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol is CN(c1ncc(-c2ncc(C3=C(F)CCCN=C3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol?
The InChIKey is SVLJIYOKMYNETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O/c1-23(2)10-16(11-24(3,4)31-23)32(5)22-28-14-19(29-30-22)21-20(33)9-15(12-27-21)17-13-26-8-6-7-18(17)25/h9,12-14,16,31,33H,6-8,10-11H2,1-5H3.
What are the key properties of 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol?
5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol has a molecular weight of 453.57 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3,4-dihydro-2H-azepin-6-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]pyridin-3-ol is sourced from PubChem (CID 155316061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).