1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C25H21FN4O2 — CID 137053615

IUPAC1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H21FN4O2/c1-16(31)29-13-10-18(11-14-29)23-25-28-22(17-2-6-20(26)7-3-17)24(30(25)15-12-27-23)19-4-8-21(32)9-5-19/h2-10,12,15,32H,11,13-14H2,1H3
InChIKeyGOPPUCACDVUJJW-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.54
Rot. Bonds3

About 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 137053615) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID137053615
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H21FN4O2/c1-16(31)29-13-10-18(11-14-29)23-25-28-22(17-2-6-20(26)7-3-17)24(30(25)15-12-27-23)19-4-8-21(32)9-5-19/h2-10,12,15,32H,11,13-14H2,1H3
InChIKeyGOPPUCACDVUJJW-UHFFFAOYSA-N
XLogP4.54
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 137053615) is 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is GOPPUCACDVUJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-16(31)29-13-10-18(11-14-29)23-25-28-22(17-2-6-20(26)7-3-17)24(30(25)15-12-27-23)19-4-8-21(32)9-5-19/h2-10,12,15,32H,11,13-14H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 428.47 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 137053615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).