6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C23H31N7O — CID 50795201

IUPAC6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)c1
InChIInChI=1S/C23H31N7O/c1-28-22-20(16-24-28)21(25-17-7-6-10-19(15-17)31-2)26-23(27-22)30-13-11-29(12-14-30)18-8-4-3-5-9-18/h6-7,10,15-16,18H,3-5,8-9,11-14H2,1-2H3,(H,25,26,27)
InChIKeyMISBTCIOZJMKLL-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.57
Rot. Bonds5

About 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 50795201) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID50795201
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)c1
InChIInChI=1S/C23H31N7O/c1-28-22-20(16-24-28)21(25-17-7-6-10-19(15-17)31-2)26-23(27-22)30-13-11-29(12-14-30)18-8-4-3-5-9-18/h6-7,10,15-16,18H,3-5,8-9,11-14H2,1-2H3,(H,25,26,27)
InChIKeyMISBTCIOZJMKLL-UHFFFAOYSA-N
XLogP3.57
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-6-(4-propylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795196
1-methyl-N-phenyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 46345343
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 43845722
N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 46940706
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108
6-N-(2-methoxyethyl)-4-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50758354
N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8546583
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8546599
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795273
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
1-methyl-N-[(2-methylphenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795453
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 50795201) is 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(N3CCN(C4CCCCC4)CC3)nc3c2cnn3C)c1.
What is the InChIKey of 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MISBTCIOZJMKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-28-22-20(16-24-28)21(25-17-7-6-10-19(15-17)31-2)26-23(27-22)30-13-11-29(12-14-30)18-8-4-3-5-9-18/h6-7,10,15-16,18H,3-5,8-9,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 421.55 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylpiperazin-1-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50795201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).