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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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).