2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C24H22N4O2S — CID 59794086

IUPAC2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCCC(C(=O)c3cc4ccccc4s3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C24H22N4O2S/c1-27-22(29)14-19(16-8-10-25-11-9-16)26-24(27)28-12-4-6-18(15-28)23(30)21-13-17-5-2-3-7-20(17)31-21/h2-3,5,7-11,13-14,18H,4,6,12,15H2,1H3
InChIKeyJMVLMVCPWAZDDB-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.16
Rot. Bonds4

About 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59794086) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59794086
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCCC(C(=O)c3cc4ccccc4s3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C24H22N4O2S/c1-27-22(29)14-19(16-8-10-25-11-9-16)26-24(27)28-12-4-6-18(15-28)23(30)21-13-17-5-2-3-7-20(17)31-21/h2-3,5,7-11,13-14,18H,4,6,12,15H2,1H3
InChIKeyJMVLMVCPWAZDDB-UHFFFAOYSA-N
XLogP4.16
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzothiophene-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917420
2-(1-benzothiophen-3-yl)-5-methyl-1H-1,8-naphthyridin-4-one
CID 10827492
3-Methyl-6-phenyl-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one
CID 49790673
Benzo[b]thiophen-3-yl 4-(2-pyridyl)piperazinyl ketone
CID 753206
1-Benzothiophen-2-yl[4-(2-pyridinyl)piperazino]methanone
CID 2810325
3-Methyl-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 46948650
Benzothiophen-2-yl-[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 455388
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)[4-(pyridin-2-yl)piperazin-1-yl]methanone
CID 16232629
3-Methyl-6-(4-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one
CID 46942561
3-Methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 46942969
3-Methyl-6-(2-methylphenyl)-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one
CID 46943047
3-Methyl-6-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
CID 46943518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59794086) is 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCCC(C(=O)c3cc4ccccc4s3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is JMVLMVCPWAZDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-27-22(29)14-19(16-8-10-25-11-9-16)26-24(27)28-12-4-6-18(15-28)23(30)21-13-17-5-2-3-7-20(17)31-21/h2-3,5,7-11,13-14,18H,4,6,12,15H2,1H3.
What are the key properties of 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 430.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophene-2-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59794086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).