(4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone

C23H19FN4O3 — CID 137053642

IUPAC(4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1nc2c(N3CCOCC3)nccn2c1-c1ccc(O)cc1
InChIInChI=1S/C23H19FN4O3/c24-17-5-1-16(2-6-17)21(30)19-20(15-3-7-18(29)8-4-15)28-10-9-25-22(23(28)26-19)27-11-13-31-14-12-27/h1-10,29H,11-14H2
InChIKeyNELBEJYTXIVOKK-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.31
Rot. Bonds4

About (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone

(4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 137053642) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone
PubChem CID137053642
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name(4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1nc2c(N3CCOCC3)nccn2c1-c1ccc(O)cc1
InChIInChI=1S/C23H19FN4O3/c24-17-5-1-16(2-6-17)21(30)19-20(15-3-7-18(29)8-4-15)28-10-9-25-22(23(28)26-19)27-11-13-31-14-12-27/h1-10,29H,11-14H2
InChIKeyNELBEJYTXIVOKK-UHFFFAOYSA-N
XLogP3.31
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
US9908886, Example 2
CID 136273088
(4-(3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 136623815
US10513523, Example 83
CID 137053640
3-[3-(4-hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethyl-benzamide
CID 137120130
1-[4-[4-[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperazin-1-yl]ethanone
CID 145964697
4-[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 145966011
[4-[3-(3-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 145972578
4-[2-(4-Fluorophenyl)-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 155525873
4-[2-(4-Chlorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 155536982
US10513523, Example 130
CID 137053615
US10513523, Example 3
CID 137053616

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone (CID 137053642) is (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone is O=C(c1ccc(F)cc1)c1nc2c(N3CCOCC3)nccn2c1-c1ccc(O)cc1.
What is the InChIKey of (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is NELBEJYTXIVOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c24-17-5-1-16(2-6-17)21(30)19-20(15-3-7-18(29)8-4-15)28-10-9-25-22(23(28)26-19)27-11-13-31-14-12-27/h1-10,29H,11-14H2.
What are the key properties of (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone?
(4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 418.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(4-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 137053642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).