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

C26H27N7O3 — CID 170775795

IUPAC1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(C(C)C)nc4c3cnn4-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C26H27N7O3/c1-16(2)24-30-25(19-13-28-33(26(19)31-24)17-9-7-6-8-10-17)29-22-14-32(15-27-22)18-11-20(34-3)23(36-5)21(12-18)35-4/h6-16H,1-5H3,(H,29,30,31)
InChIKeyGRIGSHQGPAQEIY-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.89
Rot. Bonds8

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

1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 170775795) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is 1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID170775795
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Name1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(C(C)C)nc4c3cnn4-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C26H27N7O3/c1-16(2)24-30-25(19-13-28-33(26(19)31-24)17-9-7-6-8-10-17)29-22-14-32(15-27-22)18-11-20(34-3)23(36-5)21(12-18)35-4/h6-16H,1-5H3,(H,29,30,31)
InChIKeyGRIGSHQGPAQEIY-UHFFFAOYSA-N
XLogP4.89
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-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

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-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
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-[(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
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-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775729
ethanamine;ethane;2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
CID 142498191
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
CID 142497948
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
3-chloroisoquinoline;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]isoquinolin-3-amine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167607094

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-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-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 170775795) is 1-phenyl-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-phenyl-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-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-n2cnc(Nc3nc(C(C)C)nc4c3cnn4-c3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of 1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GRIGSHQGPAQEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-16(2)24-30-25(19-13-28-33(26(19)31-24)17-9-7-6-8-10-17)29-22-14-32(15-27-22)18-11-20(34-3)23(36-5)21(12-18)35-4/h6-16H,1-5H3,(H,29,30,31).
What are the key properties of 1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-phenyl-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 485.55 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-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 170775795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).