4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol

C24H34N8O — CID 166928408

IUPAC4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
SMILESCCC(CC)n1ncc2c(Nc3cn(C)cn3)nc(NC3C4CC5CC3CC(O)(C5)C4)nc21
InChIInChI=1S/C24H34N8O/c1-4-17(5-2)32-22-18(11-26-32)21(27-19-12-31(3)13-25-19)29-23(30-22)28-20-15-6-14-7-16(20)10-24(33,8-14)9-15/h11-17,20,33H,4-10H2,1-3H3,(H2,27,28,29,30)
InChIKeyJDOYMOJCPLCDFZ-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.02
Rot. Bonds7

About 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol

4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol (PubChem CID 166928408) has the molecular formula C24H34N8O and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
PubChem CID166928408
Molecular FormulaC24H34N8O
Molecular Weight450.59 g/mol
Exact Mass450.29
IUPAC Name4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
SMILESCCC(CC)n1ncc2c(Nc3cn(C)cn3)nc(NC3C4CC5CC3CC(O)(C5)C4)nc21
InChIInChI=1S/C24H34N8O/c1-4-17(5-2)32-22-18(11-26-32)21(27-19-12-31(3)13-25-19)29-23(30-22)28-20-15-6-14-7-16(20)10-24(33,8-14)9-15/h11-17,20,33H,4-10H2,1-3H3,(H2,27,28,29,30)
InChIKeyJDOYMOJCPLCDFZ-UHFFFAOYSA-N
XLogP4.02
TPSA105.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol with MolForge

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Related Compounds

4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
CID 163253366
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166928667
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
CID 166926169
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166928671
4-[[7-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,3-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166928756
2-[6-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-4-[(1-methylimidazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 45275365
4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
CID 163253432
4-[[5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(1,3-oxazolidin-2-yl)pyrimidin-2-yl]amino]adamantan-1-ol
CID 163253460
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166926165
4-[5-fluoro-2-[(5-hydroxy-2-adamantyl)amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]oxyoxolan-3-ol
CID 167026257
4-[[5-methyl-2-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]pyrimidin-4-yl]amino]adamantan-1-ol
CID 123822163
6-[[4-[(5-hydroxy-2-adamantyl)amino]-5-methylpyrimidin-2-yl]amino]-3-methyl-1H-benzimidazol-2-one
CID 123564909

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol (CID 166928408) is 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol is CCC(CC)n1ncc2c(Nc3cn(C)cn3)nc(NC3C4CC5CC3CC(O)(C5)C4)nc21.
What is the InChIKey of 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
The InChIKey is JDOYMOJCPLCDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O/c1-4-17(5-2)32-22-18(11-26-32)21(27-19-12-31(3)13-25-19)29-23(30-22)28-20-15-6-14-7-16(20)10-24(33,8-14)9-15/h11-17,20,33H,4-10H2,1-3H3,(H2,27,28,29,30).
What are the key properties of 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol?
4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol has a molecular weight of 450.59 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol is sourced from PubChem (CID 166928408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).