6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C22H28ClN7 — CID 8546599

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCCCC3)nc(N3CCN(c4cccc(Cl)c4)CC3)nc21
InChIInChI=1S/C22H28ClN7/c1-28-21-19(15-24-28)20(25-17-7-3-2-4-8-17)26-22(27-21)30-12-10-29(11-13-30)18-9-5-6-16(23)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H,25,26,27)
InChIKeyGUDFGVBCLAKIPC-UHFFFAOYSA-N
MW425.97 g/mol
LogP4.09
Rot. Bonds4

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 8546599) has the molecular formula C22H28ClN7 and a molecular weight of 425.97 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID8546599
Molecular FormulaC22H28ClN7
Molecular Weight425.97 g/mol
Exact Mass425.21
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC3CCCCC3)nc(N3CCN(c4cccc(Cl)c4)CC3)nc21
InChIInChI=1S/C22H28ClN7/c1-28-21-19(15-24-28)20(25-17-7-3-2-4-8-17)26-22(27-21)30-12-10-29(11-13-30)18-9-5-6-16(23)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H,25,26,27)
InChIKeyGUDFGVBCLAKIPC-UHFFFAOYSA-N
XLogP4.09
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.97
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclohexyl-1-methyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8546583
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
CID 112939151
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitropyrimidin-4-amine
CID 23491131
1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7162546
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017200
1-methyl-N-phenyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 46345343
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
N-[(2-chlorophenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795113
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 8546599) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC3CCCCC3)nc(N3CCN(c4cccc(Cl)c4)CC3)nc21.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GUDFGVBCLAKIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN7/c1-28-21-19(15-24-28)20(25-17-7-3-2-4-8-17)26-22(27-21)30-12-10-29(11-13-30)18-9-5-6-16(23)14-18/h5-6,9,14-15,17H,2-4,7-8,10-13H2,1H3,(H,25,26,27).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 425.97 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 8546599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).