2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol

C22H29N7O — CID 155772572

IUPAC2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol
SMILES[2H]C([2H])([2H])n1cc(-c2ccc(-c3ncc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C22H29N7O/c1-21(2)9-16(10-22(3,4)28-21)25-19-12-23-20(27-26-19)17-7-6-14(8-18(17)30)15-11-24-29(5)13-15/h6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,25,26)/i5D3
InChIKeyNWSDGCVODQXXMR-VPYROQPTSA-N
MW410.54 g/mol
LogP3.37
Rot. Bonds5

About 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol

2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol (PubChem CID 155772572) has the molecular formula C22H29N7O and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol.

Molecular Properties

Compound Name2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol
PubChem CID155772572
Molecular FormulaC22H29N7O
Molecular Weight410.54 g/mol
Exact Mass410.26
IUPAC Name2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol
SMILES[2H]C([2H])([2H])n1cc(-c2ccc(-c3ncc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C22H29N7O/c1-21(2)9-16(10-22(3,4)28-21)25-19-12-23-20(27-26-19)17-7-6-14(8-18(17)30)15-11-24-29(5)13-15/h6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,25,26)/i5D3
InChIKeyNWSDGCVODQXXMR-VPYROQPTSA-N
XLogP3.37
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-(triazol-2-yl)phenol;hydrochloride
CID 139536714
5-(6-methoxy-3-pyridinyl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626071
2-[5-methanimidoyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 153382865
formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
CID 139535418
5-(1H-indazol-7-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136626075
5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536618
2-[6-[cyclopropyl-[(1R,3S,5R)-1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,2,4-triazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 166580716
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-pyridin-3-ylphenol
CID 139536860
5-(4-fluoropyrazol-1-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536727
2-[6-[cyclopropyl-[(1R,3S,5S)-2,2-difluoro-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,2,4-triazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 172862221
5-(2-methoxy-4-pyridinyl)-2-[6-[(3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)amino]-1,2,4-triazin-3-yl]phenol
CID 162390605
5-(5-fluoropyrimidin-2-yl)-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536558

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol?
The IUPAC name of 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol (CID 155772572) is 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol.
What is the SMILES notation for 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol?
The canonical SMILES for 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol is [2H]C([2H])([2H])n1cc(-c2ccc(-c3ncc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.
What is the InChIKey of 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol?
The InChIKey is NWSDGCVODQXXMR-VPYROQPTSA-N. The full InChI is InChI=1S/C22H29N7O/c1-21(2)9-16(10-22(3,4)28-21)25-19-12-23-20(27-26-19)17-7-6-14(8-18(17)30)15-11-24-29(5)13-15/h6-8,11-13,16,28,30H,9-10H2,1-5H3,(H,25,26)/i5D3.
What are the key properties of 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol?
2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol has a molecular weight of 410.54 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]phenol is sourced from PubChem (CID 155772572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).