N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

C19H24N6O3 — CID 73339975

IUPACN-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(C2=NC(=O)C3CCCC3=N2)n1
InChIInChI=1S/C19H24N6O3/c1-11-6-8-24(9-7-11)18(28)17(27)21-15-10-12(2)23-25(15)19-20-14-5-3-4-13(14)16(26)22-19/h10-11,13H,3-9H2,1-2H3,(H,21,27)
InChIKeyIWGBLSQTVACKEC-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.37
Rot. Bonds1

About N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 73339975) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID73339975
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(C2=NC(=O)C3CCCC3=N2)n1
InChIInChI=1S/C19H24N6O3/c1-11-6-8-24(9-7-11)18(28)17(27)21-15-10-12(2)23-25(15)19-20-14-5-3-4-13(14)16(26)22-19/h10-11,13H,3-9H2,1-2H3,(H,21,27)
InChIKeyIWGBLSQTVACKEC-UHFFFAOYSA-N
XLogP1.37
TPSA109.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (CID 73339975) is N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(C2=NC(=O)C3CCCC3=N2)n1.
What is the InChIKey of N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is IWGBLSQTVACKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-11-6-8-24(9-7-11)18(28)17(27)21-15-10-12(2)23-25(15)19-20-14-5-3-4-13(14)16(26)22-19/h10-11,13H,3-9H2,1-2H3,(H,21,27).
What are the key properties of N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 384.44 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 73339975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).