4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one

C16H9Cl2N3OS — CID 137178283

IUPAC4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one
SMILESO=C1N=C(c2cc(Cl)sc2Cl)CC(c2c[nH]c3ccccc23)=N1
InChIInChI=1S/C16H9Cl2N3OS/c17-14-5-9(15(18)23-14)12-6-13(21-16(22)20-12)10-7-19-11-4-2-1-3-8(10)11/h1-5,7,19H,6H2
InChIKeyNQCSWBXPHFXPKT-UHFFFAOYSA-N
MW362.24 g/mol
LogP5.34
Rot. Bonds2

About 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one

4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one (PubChem CID 137178283) has the molecular formula C16H9Cl2N3OS and a molecular weight of 362.24 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one
PubChem CID137178283
Molecular FormulaC16H9Cl2N3OS
Molecular Weight362.24 g/mol
Exact Mass360.98
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one
SMILESO=C1N=C(c2cc(Cl)sc2Cl)CC(c2c[nH]c3ccccc23)=N1
InChIInChI=1S/C16H9Cl2N3OS/c17-14-5-9(15(18)23-14)12-6-13(21-16(22)20-12)10-7-19-11-4-2-1-3-8(10)11/h1-5,7,19H,6H2
InChIKeyNQCSWBXPHFXPKT-UHFFFAOYSA-N
XLogP5.34
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.24
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole
CID 137178226
2-(1H-indol-3-yl)-3H-indole
CID 163416742
2-(1H-indol-3-yl)thiochromen-4-one
CID 54116167
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097331
7-chloro-4-(1H-indol-3-yl)-1H-quinolin-2-one
CID 138961466
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
5-(1H-indol-3-yl)-3-methylpyrrol-2-one
CID 171488388
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
5,7-dichloro-3-(1H-indol-3-yl)-1H-indole
CID 10518361
3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
CID 145022790
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one (CID 137178283) is 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one is O=C1N=C(c2cc(Cl)sc2Cl)CC(c2c[nH]c3ccccc23)=N1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one?
The InChIKey is NQCSWBXPHFXPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3OS/c17-14-5-9(15(18)23-14)12-6-13(21-16(22)20-12)10-7-19-11-4-2-1-3-8(10)11/h1-5,7,19H,6H2.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one?
4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one has a molecular weight of 362.24 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one is sourced from PubChem (CID 137178283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).