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

C24H31N7O3 — CID 170775866

IUPAC6-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C24H31N7O3/c1-8-15(4)22-28-23(17-11-26-31(14(2)3)24(17)29-22)27-20-12-30(13-25-20)16-9-18(32-5)21(34-7)19(10-16)33-6/h9-15H,8H2,1-7H3,(H,27,28,29)
InChIKeyCOSMBGFXVBIXAB-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.88
Rot. Bonds9

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

6-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 170775866) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is 6-butan-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-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID170775866
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC Name6-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C24H31N7O3/c1-8-15(4)22-28-23(17-11-26-31(14(2)3)24(17)29-22)27-20-12-30(13-25-20)16-9-18(32-5)21(34-7)19(10-16)33-6/h9-15H,8H2,1-7H3,(H,27,28,29)
InChIKeyCOSMBGFXVBIXAB-UHFFFAOYSA-N
XLogP4.88
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-butan-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-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) is 6-butan-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-butan-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-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CCC(C)c1nc(Nc2cn(-c3cc(OC)c(OC)c(OC)c3)cn2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-butan-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 COSMBGFXVBIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-8-15(4)22-28-23(17-11-26-31(14(2)3)24(17)29-22)27-20-12-30(13-25-20)16-9-18(32-5)21(34-7)19(10-16)33-6/h9-15H,8H2,1-7H3,(H,27,28,29).
What are the key properties of 6-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-butan-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 465.56 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-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 170775866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).