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

C23H24FN7O — CID 156887659

IUPAC2-[3-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
SMILESCCC1CN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)CCN1
InChIInChI=1S/C23H24FN7O/c1-3-17-13-30(7-6-25-17)23-26-10-20(28-29-23)18-5-4-15(9-21(18)32)16-8-19(24)22-27-14(2)11-31(22)12-16/h4-5,8-12,17,25,32H,3,6-7,13H2,1-2H3
InChIKeyXFOVIJVTPPLQKM-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.19
Rot. Bonds4

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

2-[3-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol (PubChem CID 156887659) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[3-(3-ethylpiperazin-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-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
PubChem CID156887659
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name2-[3-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
SMILESCCC1CN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)CCN1
InChIInChI=1S/C23H24FN7O/c1-3-17-13-30(7-6-25-17)23-26-10-20(28-29-23)18-5-4-15(9-21(18)32)16-8-19(24)22-27-14(2)11-31(22)12-16/h4-5,8-12,17,25,32H,3,6-7,13H2,1-2H3
InChIKeyXFOVIJVTPPLQKM-UHFFFAOYSA-N
XLogP3.19
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethylpiperazin-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-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol (CID 156887659) is 2-[3-(3-ethylpiperazin-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-(3-ethylpiperazin-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-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol is CCC1CN(c2ncc(-c3ccc(-c4cc(F)c5nc(C)cn5c4)cc3O)nn2)CCN1.
What is the InChIKey of 2-[3-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
The InChIKey is XFOVIJVTPPLQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-3-17-13-30(7-6-25-17)23-26-10-20(28-29-23)18-5-4-15(9-21(18)32)16-8-19(24)22-27-14(2)11-31(22)12-16/h4-5,8-12,17,25,32H,3,6-7,13H2,1-2H3.
What are the key properties of 2-[3-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
2-[3-(3-ethylpiperazin-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 433.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethylpiperazin-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 156887659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).