2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one

C28H25N5O2 — CID 58245797

IUPAC2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCOc1ccc(N2CCN(c3cccc4c3-c3nc(N)nc(-c5ccccc5)c3C4=O)CC2)cc1
InChIInChI=1S/C28H25N5O2/c1-35-20-12-10-19(11-13-20)32-14-16-33(17-15-32)22-9-5-8-21-23(22)26-24(27(21)34)25(30-28(29)31-26)18-6-3-2-4-7-18/h2-13H,14-17H2,1H3,(H2,29,30,31)
InChIKeyQNEOEINISFUPJT-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.27
Rot. Bonds4

About 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 58245797) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID58245797
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCOc1ccc(N2CCN(c3cccc4c3-c3nc(N)nc(-c5ccccc5)c3C4=O)CC2)cc1
InChIInChI=1S/C28H25N5O2/c1-35-20-12-10-19(11-13-20)32-14-16-33(17-15-32)22-9-5-8-21-23(22)26-24(27(21)34)25(30-28(29)31-26)18-6-3-2-4-7-18/h2-13H,14-17H2,1H3,(H2,29,30,31)
InChIKeyQNEOEINISFUPJT-UHFFFAOYSA-N
XLogP4.27
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
CID 71478784
2-amino-9-[(4-methoxyphenyl)methoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one;1-(bromomethyl)-4-methylbenzene;7-[(4-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one;molecular iodine
CID 123384413
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
CID 50842971
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carbonitrile
CID 68904389
1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400771
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3907292
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 3482858
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 110390931

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 58245797) is 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one is COc1ccc(N2CCN(c3cccc4c3-c3nc(N)nc(-c5ccccc5)c3C4=O)CC2)cc1.
What is the InChIKey of 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is QNEOEINISFUPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-35-20-12-10-19(11-13-20)32-14-16-33(17-15-32)22-9-5-8-21-23(22)26-24(27(21)34)25(30-28(29)31-26)18-6-3-2-4-7-18/h2-13H,14-17H2,1H3,(H2,29,30,31).
What are the key properties of 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 463.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 58245797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).