2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine

C27H33N7 — CID 42807825

IUPAC2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCC(C)(C)n1nc2nc(N3CCN(CCc4ccccc4)CC3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C27H33N7/c1-27(2,3)34-24(28)22-23(21-12-8-5-9-13-21)29-26(30-25(22)31-34)33-18-16-32(17-19-33)15-14-20-10-6-4-7-11-20/h4-13H,14-19,28H2,1-3H3
InChIKeySFJPRVTXAYZUDA-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.20
Rot. Bonds5

About 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine

2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42807825) has the molecular formula C27H33N7 and a molecular weight of 455.61 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42807825
Molecular FormulaC27H33N7
Molecular Weight455.61 g/mol
Exact Mass455.28
IUPAC Name2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCC(C)(C)n1nc2nc(N3CCN(CCc4ccccc4)CC3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C27H33N7/c1-27(2,3)34-24(28)22-23(21-12-8-5-9-13-21)29-26(30-25(22)31-34)33-18-16-32(17-19-33)15-14-20-10-6-4-7-11-20/h4-13H,14-19,28H2,1-3H3
InChIKeySFJPRVTXAYZUDA-UHFFFAOYSA-N
XLogP4.20
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine with MolForge

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Related Compounds

2-tert-butyl-6-(4-methylpiperazin-1-yl)-4-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667647
4-(4-chlorophenyl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668123
2-tert-butyl-4-phenyl-6-(4-propan-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42807822
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667941
2-tert-butyl-4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669064
2-tert-butyl-4-phenyl-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667637
2-tert-butyl-4-(2,3-difluorophenyl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669194
6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667834
2-methyl-4-(3-phenoxyphenyl)-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669543
2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667648
2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]-4-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669362
2-tert-butyl-6-N-[(3-fluorophenyl)methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667649

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine (CID 42807825) is 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine is CC(C)(C)n1nc2nc(N3CCN(CCc4ccccc4)CC3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is SFJPRVTXAYZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7/c1-27(2,3)34-24(28)22-23(21-12-8-5-9-13-21)29-26(30-25(22)31-34)33-18-16-32(17-19-33)15-14-20-10-6-4-7-11-20/h4-13H,14-19,28H2,1-3H3.
What are the key properties of 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine?
2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 455.61 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-phenyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42807825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).