1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone

C25H26N2O3 — CID 171353648

IUPAC1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone
SMILESCC(O)(CCCc1ccccn1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O
InChIInChI=1S/C25H26N2O3/c1-25(30,13-6-10-21-9-4-5-14-26-21)22-15-18(11-12-23(22)28)24(29)27-16-19-7-2-3-8-20(19)17-27/h2-5,7-9,11-12,14-15,28,30H,6,10,13,16-17H2,1H3
InChIKeyLOGHLOZOUICCKI-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.17
Rot. Bonds6

About 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone

1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone (PubChem CID 171353648) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone
PubChem CID171353648
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone
SMILESCC(O)(CCCc1ccccn1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O
InChIInChI=1S/C25H26N2O3/c1-25(30,13-6-10-21-9-4-5-14-26-21)22-15-18(11-12-23(22)28)24(29)27-16-19-7-2-3-8-20(19)17-27/h2-5,7-9,11-12,14-15,28,30H,6,10,13,16-17H2,1H3
InChIKeyLOGHLOZOUICCKI-UHFFFAOYSA-N
XLogP4.17
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone (CID 171353648) is 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone is CC(O)(CCCc1ccccn1)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone?
The InChIKey is LOGHLOZOUICCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-25(30,13-6-10-21-9-4-5-14-26-21)22-15-18(11-12-23(22)28)24(29)27-16-19-7-2-3-8-20(19)17-27/h2-5,7-9,11-12,14-15,28,30H,6,10,13,16-17H2,1H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone?
1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone has a molecular weight of 402.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(2-hydroxy-5-pyridin-2-ylpentan-2-yl)phenyl]methanone is sourced from PubChem (CID 171353648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).