2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide

C28H23N3O3 — CID 23646881

IUPAC2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)C(O)c1ccccc1
InChIInChI=1S/C28H23N3O3/c32-26(19-7-2-1-3-8-19)28(34)30-16-18-6-4-9-20(14-18)22-10-5-11-23(27(22)33)25-15-21-17-29-13-12-24(21)31-25/h1-15,17,26,31-33H,16H2,(H,30,34)
InChIKeyCLJMWSXVFXJNQS-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.95
Rot. Bonds6

About 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide

2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide (PubChem CID 23646881) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide
PubChem CID23646881
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)C(O)c1ccccc1
InChIInChI=1S/C28H23N3O3/c32-26(19-7-2-1-3-8-19)28(34)30-16-18-6-4-9-20(14-18)22-10-5-11-23(27(22)33)25-15-21-17-29-13-12-24(21)31-25/h1-15,17,26,31-33H,16H2,(H,30,34)
InChIKeyCLJMWSXVFXJNQS-UHFFFAOYSA-N
XLogP4.95
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide (CID 23646881) is 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide is O=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is CLJMWSXVFXJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c32-26(19-7-2-1-3-8-19)28(34)30-16-18-6-4-9-20(14-18)22-10-5-11-23(27(22)33)25-15-21-17-29-13-12-24(21)31-25/h1-15,17,26,31-33H,16H2,(H,30,34).
What are the key properties of 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 449.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 23646881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).