2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol

C24H26FN7O — CID 156887420

IUPAC2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
SMILESCCN1CCN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)C[C@H]1C
InChIInChI=1S/C24H26FN7O/c1-4-30-7-8-31(13-16(30)3)24-26-11-21(28-29-24)19-6-5-17(10-22(19)33)18-9-20(25)23-27-15(2)12-32(23)14-18/h5-6,9-12,14,16,33H,4,7-8,13H2,1-3H3/t16-/m1/s1
InChIKeyZOHYGIWKNRYOFQ-MRXNPFEDSA-N
MW447.52 g/mol
LogP3.54
Rot. Bonds4

About 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol

2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol (PubChem CID 156887420) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol.

Molecular Properties

Compound Name2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
PubChem CID156887420
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
SMILESCCN1CCN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)C[C@H]1C
InChIInChI=1S/C24H26FN7O/c1-4-30-7-8-31(13-16(30)3)24-26-11-21(28-29-24)19-6-5-17(10-22(19)33)18-9-20(25)23-27-15(2)12-32(23)14-18/h5-6,9-12,14,16,33H,4,7-8,13H2,1-3H3/t16-/m1/s1
InChIKeyZOHYGIWKNRYOFQ-MRXNPFEDSA-N
XLogP3.54
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol with MolForge

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Related Compounds

2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887572
2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride
CID 156887571
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[(3-methyloxetan-3-yl)methyl]azetidin-3-yl]pyridazin-3-yl]phenol
CID 168895432
6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 156887410
2-[3-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyridin-3-ol;hydrochloride
CID 155287302
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol
CID 168895656
5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-6-yl]pyridin-3-ol
CID 155287406
2-[3-[3-(2-hydroxypropan-2-yl)-4-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methylpyrimidin-4-yl)phenol
CID 170040492
5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887408
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 166848134
(3R)-1-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)naphthalen-2-yl]-N-methylpyrrolidin-3-amine
CID 168978643
2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;dihydrochloride
CID 167441409

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
The IUPAC name of 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol (CID 156887420) is 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol.
What is the SMILES notation for 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
The canonical SMILES for 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol is CCN1CCN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)C[C@H]1C.
What is the InChIKey of 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
The InChIKey is ZOHYGIWKNRYOFQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-4-30-7-8-31(13-16(30)3)24-26-11-21(28-29-24)19-6-5-17(10-22(19)33)18-9-20(25)23-27-15(2)12-32(23)14-18/h5-6,9-12,14,16,33H,4,7-8,13H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol has a molecular weight of 447.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol is sourced from PubChem (CID 156887420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).