2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one

C22H26N8O2 — CID 126895258

IUPAC2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(c4nc5nn(C)cc5c(=O)n4C)CC3)cc12
InChIInChI=1S/C22H26N8O2/c1-14(2)32-20-16-11-15(5-6-18(16)23-13-24-20)29-7-9-30(10-8-29)22-25-19-17(12-27(3)26-19)21(31)28(22)4/h5-6,11-14H,7-10H2,1-4H3
InChIKeyQNIVFVGCUDGFII-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.72
Rot. Bonds4

About 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one

2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 126895258) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID126895258
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(c4nc5nn(C)cc5c(=O)n4C)CC3)cc12
InChIInChI=1S/C22H26N8O2/c1-14(2)32-20-16-11-15(5-6-18(16)23-13-24-20)29-7-9-30(10-8-29)22-25-19-17(12-27(3)26-19)21(31)28(22)4/h5-6,11-14H,7-10H2,1-4H3
InChIKeyQNIVFVGCUDGFII-UHFFFAOYSA-N
XLogP1.72
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994
5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895138
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187
2,5-dimethyl-6-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[3,4-d]pyrimidin-4-one
CID 126932264

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one (CID 126895258) is 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one is CC(C)Oc1ncnc2ccc(N3CCN(c4nc5nn(C)cc5c(=O)n4C)CC3)cc12.
What is the InChIKey of 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is QNIVFVGCUDGFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-14(2)32-20-16-11-15(5-6-18(16)23-13-24-20)29-7-9-30(10-8-29)22-25-19-17(12-27(3)26-19)21(31)28(22)4/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 434.50 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126895258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).