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

C25H24N6O — CID 46492599

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)nc2n1
InChIInChI=1S/C25H24N6O/c1-16-12-17(2)31-25(28-16)29-23(30-31)13-24(32)27-14-20(18-8-4-3-5-9-18)21-15-26-22-11-7-6-10-19(21)22/h3-12,15,20,26H,13-14H2,1-2H3,(H,27,32)
InChIKeyQMOVDSRLSVONTJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.71
Rot. Bonds6

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

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (PubChem CID 46492599) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
PubChem CID46492599
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)nc2n1
InChIInChI=1S/C25H24N6O/c1-16-12-17(2)31-25(28-16)29-23(30-31)13-24(32)27-14-20(18-8-4-3-5-9-18)21-15-26-22-11-7-6-10-19(21)22/h3-12,15,20,26H,13-14H2,1-2H3,(H,27,32)
InChIKeyQMOVDSRLSVONTJ-UHFFFAOYSA-N
XLogP3.71
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43020555
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37028631
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide
CID 46692195
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetamide
CID 42921072
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide (CID 46492599) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is Cc1cc(C)n2nc(CC(=O)NCC(c3ccccc3)c3c[nH]c4ccccc34)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
The InChIKey is QMOVDSRLSVONTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-16-12-17(2)31-25(28-16)29-23(30-31)13-24(32)27-14-20(18-8-4-3-5-9-18)21-15-26-22-11-7-6-10-19(21)22/h3-12,15,20,26H,13-14H2,1-2H3,(H,27,32).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide has a molecular weight of 424.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 46492599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).