6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C25H33N7O3 — CID 170775932

IUPAC6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H33N7O3/c1-8-9-16(4)23-29-24(18-12-27-32(15(2)3)25(18)30-23)28-21-13-31(14-26-21)17-10-19(33-5)22(35-7)20(11-17)34-6/h10-16H,8-9H2,1-7H3,(H,28,29,30)
InChIKeyUARNXFWPLVILFH-UHFFFAOYSA-N
MW479.59 g/mol
LogP5.27
Rot. Bonds10

About 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 170775932) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID170775932
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC Name6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H33N7O3/c1-8-9-16(4)23-29-24(18-12-27-32(15(2)3)25(18)30-23)28-21-13-31(14-26-21)17-10-19(33-5)22(35-7)20(11-17)34-6/h10-16H,8-9H2,1-7H3,(H,28,29,30)
InChIKeyUARNXFWPLVILFH-UHFFFAOYSA-N
XLogP5.27
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.59
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775866
1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775935
6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775912
6-(1-methylpyrrolidin-3-yl)-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775796
1-[(2R)-butan-2-yl]-6-prop-1-en-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775706
1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775795
1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775729
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol
CID 142498700
ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
CID 142498191
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
CID 142497948

Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 170775932) is 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CCCC(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UARNXFWPLVILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-8-9-16(4)23-29-24(18-12-27-32(15(2)3)25(18)30-23)28-21-13-31(14-26-21)17-10-19(33-5)22(35-7)20(11-17)34-6/h10-16H,8-9H2,1-7H3,(H,28,29,30).
What are the key properties of 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 479.59 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 170775932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).