2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide

C26H38N8O2 — CID 78107247

IUPAC2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCN1CCN(CC(NC(=O)CC2CNC(=O)c3cc(-c4ccnc(N)n4)cn32)C2CCCCC2)CC1
InChIInChI=1S/C26H38N8O2/c1-32-9-11-33(12-10-32)17-22(18-5-3-2-4-6-18)30-24(35)14-20-15-29-25(36)23-13-19(16-34(20)23)21-7-8-28-26(27)31-21/h7-8,13,16,18,20,22H,2-6,9-12,14-15,17H2,1H3,(H,29,36)(H,30,35)(H2,27,28,31)
InChIKeyNTPBRZDWDDGYDT-UHFFFAOYSA-N
MW494.64 g/mol
LogP1.51
Rot. Bonds7

About 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 78107247) has the molecular formula C26H38N8O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID78107247
Molecular FormulaC26H38N8O2
Molecular Weight494.64 g/mol
Exact Mass494.31
IUPAC Name2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCN1CCN(CC(NC(=O)CC2CNC(=O)c3cc(-c4ccnc(N)n4)cn32)C2CCCCC2)CC1
InChIInChI=1S/C26H38N8O2/c1-32-9-11-33(12-10-32)17-22(18-5-3-2-4-6-18)30-24(35)14-20-15-29-25(36)23-13-19(16-34(20)23)21-7-8-28-26(27)31-21/h7-8,13,16,18,20,22H,2-6,9-12,14-15,17H2,1H3,(H,29,36)(H,30,35)(H2,27,28,31)
InChIKeyNTPBRZDWDDGYDT-UHFFFAOYSA-N
XLogP1.51
TPSA121.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 78107247) is 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide is CN1CCN(CC(NC(=O)CC2CNC(=O)c3cc(-c4ccnc(N)n4)cn32)C2CCCCC2)CC1.
What is the InChIKey of 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is NTPBRZDWDDGYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N8O2/c1-32-9-11-33(12-10-32)17-22(18-5-3-2-4-6-18)30-24(35)14-20-15-29-25(36)23-13-19(16-34(20)23)21-7-8-28-26(27)31-21/h7-8,13,16,18,20,22H,2-6,9-12,14-15,17H2,1H3,(H,29,36)(H,30,35)(H2,27,28,31).
What are the key properties of 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 494.64 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-aminopyrimidin-4-yl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[1-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 78107247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).