[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone

C24H31N7O2 — CID 42669359

IUPAC[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)c1ccc(-c2nc(N3CCN(C(=O)C4CCCO4)CC3)nc3nn(C)c(N)c23)cc1
InChIInChI=1S/C24H31N7O2/c1-15(2)16-6-8-17(9-7-16)20-19-21(25)29(3)28-22(19)27-24(26-20)31-12-10-30(11-13-31)23(32)18-5-4-14-33-18/h6-9,15,18H,4-5,10-14,25H2,1-3H3
InChIKeyNPRBAOXAGPSWOT-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.56
Rot. Bonds4

About [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 42669359) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID42669359
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)c1ccc(-c2nc(N3CCN(C(=O)C4CCCO4)CC3)nc3nn(C)c(N)c23)cc1
InChIInChI=1S/C24H31N7O2/c1-15(2)16-6-8-17(9-7-16)20-19-21(25)29(3)28-22(19)27-24(26-20)31-12-10-30(11-13-31)23(32)18-5-4-14-33-18/h6-9,15,18H,4-5,10-14,25H2,1-3H3
InChIKeyNPRBAOXAGPSWOT-UHFFFAOYSA-N
XLogP2.56
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
CID 42669350
[4-[3-amino-4-(2-fluorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42808244
[4-[3-amino-4-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42669150
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230
2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669362
[4-[3-amino-2-benzyl-4-(2,4-difluorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42808291
oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 78787878
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110807177
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 128848800
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
[4-(6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 15818184

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 42669359) is [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is CC(C)c1ccc(-c2nc(N3CCN(C(=O)C4CCCO4)CC3)nc3nn(C)c(N)c23)cc1.
What is the InChIKey of [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is NPRBAOXAGPSWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-15(2)16-6-8-17(9-7-16)20-19-21(25)29(3)28-22(19)27-24(26-20)31-12-10-30(11-13-31)23(32)18-5-4-14-33-18/h6-9,15,18H,4-5,10-14,25H2,1-3H3.
What are the key properties of [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 449.56 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-2-methyl-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 42669359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).