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

C25H30N8O — CID 177160559

IUPAC1-tert-butyl-3-[5-cyclopropyl-4-(5-piperidin-4-yl-2-pyridinyl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ccc(C3CCNCC3)cn2)c2c(N)ncnc21
InChIInChI=1S/C25H30N8O/c1-25(2,3)33-24-19(23(26)29-13-30-24)20(31-33)21-18(22(34-32-21)15-4-5-15)17-7-6-16(12-28-17)14-8-10-27-11-9-14/h6-7,12-15,27H,4-5,8-11H2,1-3H3,(H2,26,29,30)
InChIKeyAWMKSPSYVOWMJH-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.22
Rot. Bonds4

About 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

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 (PubChem CID 177160559) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-tert-butyl-3-[5-cyclopropyl-4-(5-piperidin-4-yl-2-pyridinyl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID177160559
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name1-tert-butyl-3-[5-cyclopropyl-4-(5-piperidin-4-yl-2-pyridinyl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ccc(C3CCNCC3)cn2)c2c(N)ncnc21
InChIInChI=1S/C25H30N8O/c1-25(2,3)33-24-19(23(26)29-13-30-24)20(31-33)21-18(22(34-32-21)15-4-5-15)17-7-6-16(12-28-17)14-8-10-27-11-9-14/h6-7,12-15,27H,4-5,8-11H2,1-3H3,(H2,26,29,30)
InChIKeyAWMKSPSYVOWMJH-UHFFFAOYSA-N
XLogP4.22
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 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

(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
CID 177160298
CID 177160298
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
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331397
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
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
[2-[4-[(E)-3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2,6-difluoro-N-propylanilino]prop-1-enoxy]-4-ethylpiperidin-1-yl]-2-oxoethyl] 4-[2-[3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 177160826
3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
CID 139341933
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
6-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]-N-cyclohex-3-en-1-ylpyridazine-3-carboxamide
CID 177160301
3-[4-[4-[8-[4-[6-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazol-4-yl]-3-pyridinyl]piperidin-1-yl]-8-oxooctyl]piperazin-1-yl]-3-fluoroanilino]-5-methylpyrrolidin-2-one
CID 177160587
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)n1nc(-c2noc(C3CC3)c2-c2ccc(C3CCNCC3)cn2)c2c(N)ncnc21.
What is the InChIKey of 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?
The InChIKey is AWMKSPSYVOWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-25(2,3)33-24-19(23(26)29-13-30-24)20(31-33)21-18(22(34-32-21)15-4-5-15)17-7-6-16(12-28-17)14-8-10-27-11-9-14/h6-7,12-15,27H,4-5,8-11H2,1-3H3,(H2,26,29,30).
What are the key properties of 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?
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 has a molecular weight of 458.57 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177160559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).