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

C21H25N7O2 — CID 16608602

IUPACN-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N2CCN(c3ncnc4c3cnn4C)CC2)cc1
InChIInChI=1S/C21H25N7O2/c1-14(21(30)25-17-6-4-16(5-7-17)15(2)29)27-8-10-28(11-9-27)20-18-12-24-26(3)19(18)22-13-23-20/h4-7,12-14H,8-11H2,1-3H3,(H,25,30)
InChIKeyGKERAXIRAMGROX-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.72
Rot. Bonds5

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

N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 16608602) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID16608602
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N2CCN(c3ncnc4c3cnn4C)CC2)cc1
InChIInChI=1S/C21H25N7O2/c1-14(21(30)25-17-6-4-16(5-7-17)15(2)29)27-8-10-28(11-9-27)20-18-12-24-26(3)19(18)22-13-23-20/h4-7,12-14H,8-11H2,1-3H3,(H,25,30)
InChIKeyGKERAXIRAMGROX-UHFFFAOYSA-N
XLogP1.72
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide (CID 16608602) is N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide is CC(=O)c1ccc(NC(=O)C(C)N2CCN(c3ncnc4c3cnn4C)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is GKERAXIRAMGROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-14(21(30)25-17-6-4-16(5-7-17)15(2)29)27-8-10-28(11-9-27)20-18-12-24-26(3)19(18)22-13-23-20/h4-7,12-14H,8-11H2,1-3H3,(H,25,30).
What are the key properties of N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 407.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 16608602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).