2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one

C25H22N4O4 — CID 90517016

IUPAC2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4cc(=O)c5ccccc5o4)CC3)ncn2)cc1
InChIInChI=1S/C25H22N4O4/c1-32-18-8-6-17(7-9-18)20-14-24(27-16-26-20)28-10-12-29(13-11-28)25(31)23-15-21(30)19-4-2-3-5-22(19)33-23/h2-9,14-16H,10-13H2,1H3
InChIKeyAXXKZRQYQNBJDM-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.22
Rot. Bonds4

About 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one

2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one (PubChem CID 90517016) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
PubChem CID90517016
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4cc(=O)c5ccccc5o4)CC3)ncn2)cc1
InChIInChI=1S/C25H22N4O4/c1-32-18-8-6-17(7-9-18)20-14-24(27-16-26-20)28-10-12-29(13-11-28)25(31)23-15-21(30)19-4-2-3-5-22(19)33-23/h2-9,14-16H,10-13H2,1H3
InChIKeyAXXKZRQYQNBJDM-UHFFFAOYSA-N
XLogP3.22
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzofuran-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060205
1H-indol-3-yl-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517017
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
(3,5-dimethylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90516881
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
(4-tert-butylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840699
6-ethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]chromen-4-one
CID 4870327
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 90516890
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
(2-anilinophenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517050

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one (CID 90517016) is 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one is COc1ccc(-c2cc(N3CCN(C(=O)c4cc(=O)c5ccccc5o4)CC3)ncn2)cc1.
What is the InChIKey of 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one?
The InChIKey is AXXKZRQYQNBJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-32-18-8-6-17(7-9-18)20-14-24(27-16-26-20)28-10-12-29(13-11-28)25(31)23-15-21(30)19-4-2-3-5-22(19)33-23/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one?
2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one has a molecular weight of 442.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 90517016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).