2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H28N8O3S — CID 16618364

IUPAC2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ncc2c(N3CCN(CC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)ncnc21
InChIInChI=1S/C22H28N8O3S/c1-27-21-19(14-25-27)22(24-16-23-21)29-12-10-28(11-13-29)15-20(31)26-17-4-6-18(7-5-17)34(32,33)30-8-2-3-9-30/h4-7,14,16H,2-3,8-13,15H2,1H3,(H,26,31)
InChIKeyDULBCJNLRSPSOT-UHFFFAOYSA-N
MW484.59 g/mol
LogP0.91
Rot. Bonds6

About 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 16618364) has the molecular formula C22H28N8O3S and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID16618364
Molecular FormulaC22H28N8O3S
Molecular Weight484.59 g/mol
Exact Mass484.20
IUPAC Name2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ncc2c(N3CCN(CC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)ncnc21
InChIInChI=1S/C22H28N8O3S/c1-27-21-19(14-25-27)22(24-16-23-21)29-12-10-28(11-13-29)15-20(31)26-17-4-6-18(7-5-17)34(32,33)30-8-2-3-9-30/h4-7,14,16H,2-3,8-13,15H2,1H3,(H,26,31)
InChIKeyDULBCJNLRSPSOT-UHFFFAOYSA-N
XLogP0.91
TPSA116.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16618426
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16608584
N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16608589
dimethyl 5-[[2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 16618432
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16618519
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenylpropanamide
CID 43065535
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4818491
1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 25315664
N-(2-methoxy-5-methylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16608567
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 16618364) is 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cn1ncc2c(N3CCN(CC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)ncnc21.
What is the InChIKey of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DULBCJNLRSPSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3S/c1-27-21-19(14-25-27)22(24-16-23-21)29-12-10-28(11-13-29)15-20(31)26-17-4-6-18(7-5-17)34(32,33)30-8-2-3-9-30/h4-7,14,16H,2-3,8-13,15H2,1H3,(H,26,31).
What are the key properties of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 484.59 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16618364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).