1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C25H28N10O — CID 177160431

IUPAC1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1noc(C3CC3)c1-c1ncc(N3CCNCC3)cn1)nn2C12CCC(C1)C2
InChIInChI=1S/C25H28N10O/c26-22-18-19(32-35(24(18)31-13-30-22)25-4-3-14(9-25)10-25)20-17(21(36-33-20)15-1-2-15)23-28-11-16(12-29-23)34-7-5-27-6-8-34/h11-15,27H,1-10H2,(H2,26,30,31)
InChIKeyIYWVLQVCKCSPNB-UHFFFAOYSA-N
MW484.57 g/mol
LogP2.71
Rot. Bonds5

About 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 177160431) has the molecular formula C25H28N10O and a molecular weight of 484.57 g/mol. Its IUPAC name is 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID177160431
Molecular FormulaC25H28N10O
Molecular Weight484.57 g/mol
Exact Mass484.24
IUPAC Name1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1noc(C3CC3)c1-c1ncc(N3CCNCC3)cn1)nn2C12CCC(C1)C2
InChIInChI=1S/C25H28N10O/c26-22-18-19(32-35(24(18)31-13-30-22)25-4-3-14(9-25)10-25)20-17(21(36-33-20)15-1-2-15)23-28-11-16(12-29-23)34-7-5-27-6-8-34/h11-15,27H,1-10H2,(H2,26,30,31)
InChIKeyIYWVLQVCKCSPNB-UHFFFAOYSA-N
XLogP2.71
TPSA136.70 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[5-cyclopropyl-4-(5-piperidin-4-yl-2-pyridinyl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177160559
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331397
(3R)-3-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]pyrrolidine-1-carboxylic acid
CID 177160365
3-[5-cyclopropyl-4-[4-methyl-5-(1-prop-1-en-2-ylpiperidin-4-yl)pyrimidin-2-yl]-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 177160658
CID 177160298
CID 177160298
16-amino-5-cyclopropyl-11-propan-2-yl-4-oxa-3,8,11,13,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one
CID 146526738
2-[3-[[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]methyl]azetidine-1-carbonyl]oxyacetic acid
CID 177160341
ethane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[2-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopentyl-1,2-oxazol-4-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 177160976
6-(3-azaspiro[5.5]undec-9-en-9-yl)-7-methyl-5-[5-(oxolan-3-yl)pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 169213155
2-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]ethyl (4S)-4-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]-3,3-dimethylpiperidine-1-carboxylate
CID 177160577
[4-[2-[4-[2,6-difluoro-4-(methylamino)phenyl]piperazin-1-yl]ethyl]cyclohexyl] 4-[2-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 177160335
3-[4-[4-[[1-[3-[[4-[2-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]piperidin-1-yl]-hydroxymethoxy]propanoyl]piperidin-4-yl]methyl]piperazin-1-yl]-3,5-difluoroanilino]piperidine-2,6-dione
CID 177160343

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 177160431) is 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1noc(C3CC3)c1-c1ncc(N3CCNCC3)cn1)nn2C12CCC(C1)C2.
What is the InChIKey of 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IYWVLQVCKCSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O/c26-22-18-19(32-35(24(18)31-13-30-22)25-4-3-14(9-25)10-25)20-17(21(36-33-20)15-1-2-15)23-28-11-16(12-29-23)34-7-5-27-6-8-34/h11-15,27H,1-10H2,(H2,26,30,31).
What are the key properties of 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 484.57 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.1.1]hexanyl)-3-[5-cyclopropyl-4-(5-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 177160431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).