4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

C22H28ClN7 — CID 42667827

IUPAC4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCC(N4CCCCC4)CC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C22H28ClN7/c1-28-20(24)18-19(16-7-3-4-8-17(16)23)25-22(26-21(18)27-28)30-13-9-15(10-14-30)29-11-5-2-6-12-29/h3-4,7-8,15H,2,5-6,9-14,24H2,1H3
InChIKeyGGBNXYMZBUHGHM-UHFFFAOYSA-N
MW425.97 g/mol
LogP3.72
Rot. Bonds3

About 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667827) has the molecular formula C22H28ClN7 and a molecular weight of 425.97 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667827
Molecular FormulaC22H28ClN7
Molecular Weight425.97 g/mol
Exact Mass425.21
IUPAC Name4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCC(N4CCCCC4)CC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C22H28ClN7/c1-28-20(24)18-19(16-7-3-4-8-17(16)23)25-22(26-21(18)27-28)30-13-9-15(10-14-30)29-11-5-2-6-12-29/h3-4,7-8,15H,2,5-6,9-14,24H2,1H3
InChIKeyGGBNXYMZBUHGHM-UHFFFAOYSA-N
XLogP3.72
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.97
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667796
ethyl 4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 42667808
4-(2-chlorophenyl)-6-N-cyclopropyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667809
4-(2-chlorophenyl)-2-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667781
2,4-bis(4-methoxyphenyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667587
4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669297
6-(4-cyclohexylpiperazin-1-yl)-4-(2-fluorophenyl)-2-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668524
[4-[3-amino-4-(2-fluorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42808244
4-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667822
2-methyl-6-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668399
4-(2-chlorophenyl)-2-methyl-6-N-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807916
4-(4-chlorophenyl)-2-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668123

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 42667827) is 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is Cn1nc2nc(N3CCC(N4CCCCC4)CC3)nc(-c3ccccc3Cl)c2c1N.
What is the InChIKey of 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is GGBNXYMZBUHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN7/c1-28-20(24)18-19(16-7-3-4-8-17(16)23)25-22(26-21(18)27-28)30-13-9-15(10-14-30)29-11-5-2-6-12-29/h3-4,7-8,15H,2,5-6,9-14,24H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 425.97 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).