4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one

C16H17N3O2 — CID 165036462

IUPAC4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one
SMILESO=C(CCCO)c1cccc2c1CCN2c1ccncn1
InChIInChI=1S/C16H17N3O2/c20-10-2-5-15(21)13-3-1-4-14-12(13)7-9-19(14)16-6-8-17-11-18-16/h1,3-4,6,8,11,20H,2,5,7,9-10H2
InChIKeyIRSLNJUTPKCSLY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.13
Rot. Bonds5

About 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one

4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one (PubChem CID 165036462) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one
PubChem CID165036462
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one
SMILESO=C(CCCO)c1cccc2c1CCN2c1ccncn1
InChIInChI=1S/C16H17N3O2/c20-10-2-5-15(21)13-3-1-4-14-12(13)7-9-19(14)16-6-8-17-11-18-16/h1,3-4,6,8,11,20H,2,5,7,9-10H2
InChIKeyIRSLNJUTPKCSLY-UHFFFAOYSA-N
XLogP2.13
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[6-(3-methylphenyl)sulfanylpyrimidin-4-yl]-2,3-dihydroindol-4-yl]pentan-1-one
CID 164964615
1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one
CID 149328724
1-[1-[2-(3-fluoro-5-methylphenyl)ethyl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one
CID 164991560
1-pyridin-4-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 150190729
1-[1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one
CID 165090453
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 165004762
N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162659193
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
CID 122653411
1-[4-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653624
1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide
CID 165083045
1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one (CID 165036462) is 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one is O=C(CCCO)c1cccc2c1CCN2c1ccncn1.
What is the InChIKey of 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one?
The InChIKey is IRSLNJUTPKCSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-10-2-5-15(21)13-3-1-4-14-12(13)7-9-19(14)16-6-8-17-11-18-16/h1,3-4,6,8,11,20H,2,5,7,9-10H2.
What are the key properties of 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one?
4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one has a molecular weight of 283.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-pyrimidin-4-yl-2,3-dihydroindol-4-yl)butan-1-one is sourced from PubChem (CID 165036462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).