5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

C23H21N5O2 — CID 108809049

IUPAC5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(c4cc(-c5ccccc5)ncn4)CC3)ccc2N1
InChIInChI=1S/C23H21N5O2/c29-22-13-18-12-17(6-7-19(18)26-22)23(30)28-10-8-27(9-11-28)21-14-20(24-15-25-21)16-4-2-1-3-5-16/h1-7,12,14-15H,8-11,13H2,(H,26,29)
InChIKeyCQAUYEVMLZURGC-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.60
Rot. Bonds3

About 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one

5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 108809049) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID108809049
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(c4cc(-c5ccccc5)ncn4)CC3)ccc2N1
InChIInChI=1S/C23H21N5O2/c29-22-13-18-12-17(6-7-19(18)26-22)23(30)28-10-8-27(9-11-28)21-14-20(24-15-25-21)16-4-2-1-3-5-16/h1-7,12,14-15H,8-11,13H2,(H,26,29)
InChIKeyCQAUYEVMLZURGC-UHFFFAOYSA-N
XLogP2.60
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516583
5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 108809070
(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516750
2-[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108759639
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 90516591
[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl] acetate
CID 108736692
(3-nitrophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516584
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108736723

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one (CID 108809049) is 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)N3CCN(c4cc(-c5ccccc5)ncn4)CC3)ccc2N1.
What is the InChIKey of 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is CQAUYEVMLZURGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22-13-18-12-17(6-7-19(18)26-22)23(30)28-10-8-27(9-11-28)21-14-20(24-15-25-21)16-4-2-1-3-5-16/h1-7,12,14-15H,8-11,13H2,(H,26,29).
What are the key properties of 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one?
5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 399.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 108809049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).