2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide

C16H21N7O3 — CID 169115663

IUPAC2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)CC1C
InChIInChI=1S/C16H21N7O3/c1-9-8-22(4-5-23(9)10(2)24)16(26)15(25)20-12-7-18-14(17)13-11(12)6-19-21(13)3/h6-7,9H,4-5,8H2,1-3H3,(H2,17,18)(H,20,25)
InChIKeyKCACQPLSDSFLKU-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.43
Rot. Bonds1

About 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide

2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide (PubChem CID 169115663) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
PubChem CID169115663
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)CC1C
InChIInChI=1S/C16H21N7O3/c1-9-8-22(4-5-23(9)10(2)24)16(26)15(25)20-12-7-18-14(17)13-11(12)6-19-21(13)3/h6-7,9H,4-5,8H2,1-3H3,(H2,17,18)(H,20,25)
InChIKeyKCACQPLSDSFLKU-UHFFFAOYSA-N
XLogP-0.43
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide (CID 169115663) is 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide is CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)CC1C.
What is the InChIKey of 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?
The InChIKey is KCACQPLSDSFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-9-8-22(4-5-23(9)10(2)24)16(26)15(25)20-12-7-18-14(17)13-11(12)6-19-21(13)3/h6-7,9H,4-5,8H2,1-3H3,(H2,17,18)(H,20,25).
What are the key properties of 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?
2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide has a molecular weight of 359.39 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 169115663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).