4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

C24H24N6O2 — CID 137251142

IUPAC4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc2)n1
InChIInChI=1S/C24H24N6O2/c1-2-18-14-22(31)28-23(26-18)17-7-8-21(25-15-17)29-9-11-30(12-10-29)24(32)20-13-16-5-3-4-6-19(16)27-20/h3-8,13-15,27H,2,9-12H2,1H3,(H,26,28,31)
InChIKeyMXIAMKJYENNPCN-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.84
Rot. Bonds4

About 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137251142) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137251142
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc2)n1
InChIInChI=1S/C24H24N6O2/c1-2-18-14-22(31)28-23(26-18)17-7-8-21(25-15-17)29-9-11-30(12-10-29)24(32)20-13-16-5-3-4-6-19(16)27-20/h3-8,13-15,27H,2,9-12H2,1H3,(H,26,28,31)
InChIKeyMXIAMKJYENNPCN-UHFFFAOYSA-N
XLogP2.84
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136524613
4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 136527471
4-ethyl-2-[6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137256516
2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137275494
4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137271982
1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 137061301
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264948
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
2-[6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268286
ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate
CID 137265079
2-[6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268371
4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268715

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137251142) is 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is MXIAMKJYENNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-2-18-14-22(31)28-23(26-18)17-7-8-21(25-15-17)29-9-11-30(12-10-29)24(32)20-13-16-5-3-4-6-19(16)27-20/h3-8,13-15,27H,2,9-12H2,1H3,(H,26,28,31).
What are the key properties of 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 428.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137251142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).