5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one

C20H17N3O2 — CID 163602287

IUPAC5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cnc(CCc4cccc(O)c4)nc3)ccc2N1
InChIInChI=1S/C20H17N3O2/c24-17-3-1-2-13(8-17)4-7-19-21-11-16(12-22-19)14-5-6-18-15(9-14)10-20(25)23-18/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,23,25)
InChIKeyGYRLQESRVRHTIE-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.13
Rot. Bonds4

About 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one

5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 163602287) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
PubChem CID163602287
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cnc(CCc4cccc(O)c4)nc3)ccc2N1
InChIInChI=1S/C20H17N3O2/c24-17-3-1-2-13(8-17)4-7-19-21-11-16(12-22-19)14-5-6-18-15(9-14)10-20(25)23-18/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,23,25)
InChIKeyGYRLQESRVRHTIE-UHFFFAOYSA-N
XLogP3.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163579784
5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163491602
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
5-[4-methyl-2-[2-(4-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-[2-(4-methylphenyl)ethyl]pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[6-[2-(4-methylphenyl)ethyl]pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[4-methyl-2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[5-(2-phenylethyl)pyrazin-2-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163567470
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
CID 82293565
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
6-[2-(3-ethylanilino)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163891686
3-(3-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 110777102

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one (CID 163602287) is 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3cnc(CCc4cccc(O)c4)nc3)ccc2N1.
What is the InChIKey of 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is GYRLQESRVRHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-17-3-1-2-13(8-17)4-7-19-21-11-16(12-22-19)14-5-6-18-15(9-14)10-20(25)23-18/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,23,25).
What are the key properties of 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one?
5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 331.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 163602287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).