N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide

C25H39N11O2 — CID 123235125

IUPACN-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCC(Nc3nc(NC4CC4)n4ncc(CC5NCNC5=O)c4n3)CC2)CC1
InChIInChI=1S/C25H39N11O2/c1-34-8-10-35(11-9-34)14-21(37)29-17-2-4-18(5-3-17)30-24-32-22-16(12-20-23(38)27-15-26-20)13-28-36(22)25(33-24)31-19-6-7-19/h13,17-20,26H,2-12,14-15H2,1H3,(H,27,38)(H,29,37)(H2,30,31,32,33)
InChIKeyMOMSEDMSSYHSPM-UHFFFAOYSA-N
MW525.66 g/mol
LogP-0.63
Rot. Bonds9

About N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 123235125) has the molecular formula C25H39N11O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID123235125
Molecular FormulaC25H39N11O2
Molecular Weight525.66 g/mol
Exact Mass525.33
IUPAC NameN-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCC(Nc3nc(NC4CC4)n4ncc(CC5NCNC5=O)c4n3)CC2)CC1
InChIInChI=1S/C25H39N11O2/c1-34-8-10-35(11-9-34)14-21(37)29-17-2-4-18(5-3-17)30-24-32-22-16(12-20-23(38)27-15-26-20)13-28-36(22)25(33-24)31-19-6-7-19/h13,17-20,26H,2-12,14-15H2,1H3,(H,27,38)(H,29,37)(H2,30,31,32,33)
InChIKeyMOMSEDMSSYHSPM-UHFFFAOYSA-N
XLogP-0.63
TPSA143.85 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 123235125) is N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NC2CCC(Nc3nc(NC4CC4)n4ncc(CC5NCNC5=O)c4n3)CC2)CC1.
What is the InChIKey of N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is MOMSEDMSSYHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N11O2/c1-34-8-10-35(11-9-34)14-21(37)29-17-2-4-18(5-3-17)30-24-32-22-16(12-20-23(38)27-15-26-20)13-28-36(22)25(33-24)31-19-6-7-19/h13,17-20,26H,2-12,14-15H2,1H3,(H,27,38)(H,29,37)(H2,30,31,32,33).
What are the key properties of N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 525.66 g/mol, XLogP of -0.63, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclopropylamino)-8-[(5-oxoimidazolidin-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 123235125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).