N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide

C23H26N8O2 — CID 55651453

IUPACN-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C23H26N8O2/c1-15-11-21(31-23(27-15)25-14-26-31)29-7-9-30(10-8-29)22(33)20(28-16(2)32)12-17-13-24-19-6-4-3-5-18(17)19/h3-6,11,13-14,20,24H,7-10,12H2,1-2H3,(H,28,32)
InChIKeyRCLRILHATRMDCE-UHFFFAOYSA-N
MW446.52 g/mol
LogP1.31
Rot. Bonds5

About N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide

N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 55651453) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID55651453
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C23H26N8O2/c1-15-11-21(31-23(27-15)25-14-26-31)29-7-9-30(10-8-29)22(33)20(28-16(2)32)12-17-13-24-19-6-4-3-5-18(17)19/h3-6,11,13-14,20,24H,7-10,12H2,1-2H3,(H,28,32)
InChIKeyRCLRILHATRMDCE-UHFFFAOYSA-N
XLogP1.31
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 38393886
N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 60574430
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 55586725
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 33118486
N-[1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 154757311
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 112843422
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide (CID 55651453) is N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is RCLRILHATRMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-15-11-21(31-23(27-15)25-14-26-31)29-7-9-30(10-8-29)22(33)20(28-16(2)32)12-17-13-24-19-6-4-3-5-18(17)19/h3-6,11,13-14,20,24H,7-10,12H2,1-2H3,(H,28,32).
What are the key properties of N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 446.52 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 55651453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).