5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C24H18N4O4 — CID 67466297

IUPAC5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2ccc(-n3ccc4[nH]c(=O)n(-c5cccnc5)c(=O)c43)cc2)c1O
InChIInChI=1S/C24H18N4O4/c1-32-20-6-2-5-18(22(20)29)15-7-9-16(10-8-15)27-13-11-19-21(27)23(30)28(24(31)26-19)17-4-3-12-25-14-17/h2-14,29H,1H3,(H,26,31)
InChIKeyZHOWJGOSPOHMOA-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.25
Rot. Bonds4

About 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 67466297) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID67466297
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2ccc(-n3ccc4[nH]c(=O)n(-c5cccnc5)c(=O)c43)cc2)c1O
InChIInChI=1S/C24H18N4O4/c1-32-20-6-2-5-18(22(20)29)15-7-9-16(10-8-15)27-13-11-19-21(27)23(30)28(24(31)26-19)17-4-3-12-25-14-17/h2-14,29H,1H3,(H,26,31)
InChIKeyZHOWJGOSPOHMOA-UHFFFAOYSA-N
XLogP3.25
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 67466297) is 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is COc1cccc(-c2ccc(-n3ccc4[nH]c(=O)n(-c5cccnc5)c(=O)c43)cc2)c1O.
What is the InChIKey of 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZHOWJGOSPOHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c1-32-20-6-2-5-18(22(20)29)15-7-9-16(10-8-15)27-13-11-19-21(27)23(30)28(24(31)26-19)17-4-3-12-25-14-17/h2-14,29H,1H3,(H,26,31).
What are the key properties of 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 426.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67466297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).