N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide

C24H23Cl2N7O — CID 24624070

IUPACN-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
SMILESCn1ncc2c(N3CCN(C(C(=O)Nc4cc(Cl)cc(Cl)c4)c4ccccc4)CC3)ncnc21
InChIInChI=1S/C24H23Cl2N7O/c1-31-22-20(14-29-31)23(28-15-27-22)33-9-7-32(8-10-33)21(16-5-3-2-4-6-16)24(34)30-19-12-17(25)11-18(26)13-19/h2-6,11-15,21H,7-10H2,1H3,(H,30,34)
InChIKeyFUTASNQDARLSGW-UHFFFAOYSA-N
MW496.40 g/mol
LogP4.17
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide

N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 24624070) has the molecular formula C24H23Cl2N7O and a molecular weight of 496.40 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
PubChem CID24624070
Molecular FormulaC24H23Cl2N7O
Molecular Weight496.40 g/mol
Exact Mass495.13
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
SMILESCn1ncc2c(N3CCN(C(C(=O)Nc4cc(Cl)cc(Cl)c4)c4ccccc4)CC3)ncnc21
InChIInChI=1S/C24H23Cl2N7O/c1-31-22-20(14-29-31)23(28-15-27-22)33-9-7-32(8-10-33)21(16-5-3-2-4-6-16)24(34)30-19-12-17(25)11-18(26)13-19/h2-6,11-15,21H,7-10H2,1H3,(H,30,34)
InChIKeyFUTASNQDARLSGW-UHFFFAOYSA-N
XLogP4.17
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide (CID 24624070) is N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide is Cn1ncc2c(N3CCN(C(C(=O)Nc4cc(Cl)cc(Cl)c4)c4ccccc4)CC3)ncnc21.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FUTASNQDARLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O/c1-31-22-20(14-29-31)23(28-15-27-22)33-9-7-32(8-10-33)21(16-5-3-2-4-6-16)24(34)30-19-12-17(25)11-18(26)13-19/h2-6,11-15,21H,7-10H2,1H3,(H,30,34).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide?
N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 496.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 24624070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).