1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C25H26N6O — CID 56587652

IUPAC1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1nc(-c2ccccn2)nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C25H26N6O/c1-17-18(2)28-24(22-9-5-6-10-26-22)29-25(17)31-13-11-30(12-14-31)23(32)15-19-16-27-21-8-4-3-7-20(19)21/h3-10,16,27H,11-15H2,1-2H3
InChIKeyBEBVBNZBQMBVSW-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 56587652) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID56587652
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1nc(-c2ccccn2)nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C25H26N6O/c1-17-18(2)28-24(22-9-5-6-10-26-22)29-25(17)31-13-11-30(12-14-31)23(32)15-19-16-27-21-8-4-3-7-20(19)21/h3-10,16,27H,11-15H2,1-2H3
InChIKeyBEBVBNZBQMBVSW-UHFFFAOYSA-N
XLogP3.53
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
1-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810341
2-(1H-indol-3-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 122142015
2-(1H-indol-3-yl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053939
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344019
2-(1H-indol-3-yl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)ethanone
CID 99791369
2-(1H-indol-3-yl)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121053812
1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113076853
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113078739
2-(1H-indol-3-yl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 55810440
2-(7-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854852

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 56587652) is 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is Cc1nc(-c2ccccn2)nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1C.
What is the InChIKey of 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is BEBVBNZBQMBVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17-18(2)28-24(22-9-5-6-10-26-22)29-25(17)31-13-11-30(12-14-31)23(32)15-19-16-27-21-8-4-3-7-20(19)21/h3-10,16,27H,11-15H2,1-2H3.
What are the key properties of 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 426.52 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 56587652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).