N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

C23H23ClN8O — CID 53196658

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)NCc1ccccc1Cl
InChIInChI=1S/C23H23ClN8O/c24-19-6-2-1-5-17(19)13-26-21(33)15-32-23-18(14-29-32)22(27-16-28-23)31-11-9-30(10-12-31)20-7-3-4-8-25-20/h1-8,14,16H,9-13,15H2,(H,26,33)
InChIKeyDQXZHKLIZWMQFJ-UHFFFAOYSA-N
MW462.95 g/mol
LogP2.52
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (PubChem CID 53196658) has the molecular formula C23H23ClN8O and a molecular weight of 462.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
PubChem CID53196658
Molecular FormulaC23H23ClN8O
Molecular Weight462.95 g/mol
Exact Mass462.17
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)NCc1ccccc1Cl
InChIInChI=1S/C23H23ClN8O/c24-19-6-2-1-5-17(19)13-26-21(33)15-32-23-18(14-29-32)22(27-16-28-23)31-11-9-30(10-12-31)20-7-3-4-8-25-20/h1-8,14,16H,9-13,15H2,(H,26,33)
InChIKeyDQXZHKLIZWMQFJ-UHFFFAOYSA-N
XLogP2.52
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (CID 53196658) is N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is O=C(Cn1ncc2c(N3CCN(c4ccccn4)CC3)ncnc21)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is DQXZHKLIZWMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O/c24-19-6-2-1-5-17(19)13-26-21(33)15-32-23-18(14-29-32)22(27-16-28-23)31-11-9-30(10-12-31)20-7-3-4-8-25-20/h1-8,14,16H,9-13,15H2,(H,26,33).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 462.95 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53196658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).