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

C22H27N7O3 — CID 170775935

IUPAC1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc(C(C)C)nc21
InChIInChI=1S/C22H27N7O3/c1-7-29-22-15(10-24-29)21(26-20(27-22)13(2)3)25-18-11-28(12-23-18)14-8-16(30-4)19(32-6)17(9-14)31-5/h8-13H,7H2,1-6H3,(H,25,26,27)
InChIKeyWSIPSNQQTRHQLL-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.92
Rot. Bonds8

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

1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 170775935) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID170775935
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc(C(C)C)nc21
InChIInChI=1S/C22H27N7O3/c1-7-29-22-15(10-24-29)21(26-20(27-22)13(2)3)25-18-11-28(12-23-18)14-8-16(30-4)19(32-6)17(9-14)31-5/h8-13H,7H2,1-6H3,(H,25,26,27)
InChIKeyWSIPSNQQTRHQLL-UHFFFAOYSA-N
XLogP3.92
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775795
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
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
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
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775912
1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775729
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-[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 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 170775935) is 1-ethyl-6-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 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CCn1ncc2c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WSIPSNQQTRHQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-7-29-22-15(10-24-29)21(26-20(27-22)13(2)3)25-18-11-28(12-23-18)14-8-16(30-4)19(32-6)17(9-14)31-5/h8-13H,7H2,1-6H3,(H,25,26,27).
What are the key properties of 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 437.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 170775935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).