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

C19H21Cl2N7O — CID 33202227

IUPACN-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCn1ncc2c(N3CCN(CCC(=O)Nc4cc(Cl)ccc4Cl)CC3)ncnc21
InChIInChI=1S/C19H21Cl2N7O/c1-26-18-14(11-24-26)19(23-12-22-18)28-8-6-27(7-9-28)5-4-17(29)25-16-10-13(20)2-3-15(16)21/h2-3,10-12H,4-9H2,1H3,(H,25,29)
InChIKeyLNBRONHVDJIFEY-UHFFFAOYSA-N
MW434.33 g/mol
LogP2.82
Rot. Bonds5

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

N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 33202227) has the molecular formula C19H21Cl2N7O and a molecular weight of 434.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID33202227
Molecular FormulaC19H21Cl2N7O
Molecular Weight434.33 g/mol
Exact Mass433.12
IUPAC NameN-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCn1ncc2c(N3CCN(CCC(=O)Nc4cc(Cl)ccc4Cl)CC3)ncnc21
InChIInChI=1S/C19H21Cl2N7O/c1-26-18-14(11-24-26)19(23-12-22-18)28-8-6-27(7-9-28)5-4-17(29)25-16-10-13(20)2-3-15(16)21/h2-3,10-12H,4-9H2,1H3,(H,25,29)
InChIKeyLNBRONHVDJIFEY-UHFFFAOYSA-N
XLogP2.82
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide (CID 33202227) is N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide is Cn1ncc2c(N3CCN(CCC(=O)Nc4cc(Cl)ccc4Cl)CC3)ncnc21.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is LNBRONHVDJIFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N7O/c1-26-18-14(11-24-26)19(23-12-22-18)28-8-6-27(7-9-28)5-4-17(29)25-16-10-13(20)2-3-15(16)21/h2-3,10-12H,4-9H2,1H3,(H,25,29).
What are the key properties of N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 434.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 33202227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).