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

C18H19Cl2N7O — CID 16608589

IUPACN-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCn1ncc2c(N3CCN(CC(=O)Nc4cccc(Cl)c4Cl)CC3)ncnc21
InChIInChI=1S/C18H19Cl2N7O/c1-25-17-12(9-23-25)18(22-11-21-17)27-7-5-26(6-8-27)10-15(28)24-14-4-2-3-13(19)16(14)20/h2-4,9,11H,5-8,10H2,1H3,(H,24,28)
InChIKeyCSDCXRLZGHLGEM-UHFFFAOYSA-N
MW420.30 g/mol
LogP2.43
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 16608589) has the molecular formula C18H19Cl2N7O and a molecular weight of 420.30 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID16608589
Molecular FormulaC18H19Cl2N7O
Molecular Weight420.30 g/mol
Exact Mass419.10
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCn1ncc2c(N3CCN(CC(=O)Nc4cccc(Cl)c4Cl)CC3)ncnc21
InChIInChI=1S/C18H19Cl2N7O/c1-25-17-12(9-23-25)18(22-11-21-17)27-7-5-26(6-8-27)10-15(28)24-14-4-2-3-13(19)16(14)20/h2-4,9,11H,5-8,10H2,1H3,(H,24,28)
InChIKeyCSDCXRLZGHLGEM-UHFFFAOYSA-N
XLogP2.43
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 33202234
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16608584
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-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16618364
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 33202227
N-[(2-fluorophenyl)methyl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 18150388
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16618426
dimethyl 5-[[2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 16618432
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18150374
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenylpropanamide
CID 43065535
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (CID 16608589) is N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is Cn1ncc2c(N3CCN(CC(=O)Nc4cccc(Cl)c4Cl)CC3)ncnc21.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is CSDCXRLZGHLGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N7O/c1-25-17-12(9-23-25)18(22-11-21-17)27-7-5-26(6-8-27)10-15(28)24-14-4-2-3-13(19)16(14)20/h2-4,9,11H,5-8,10H2,1H3,(H,24,28).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 420.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 16608589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).