3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

C22H20N2O2 — CID 59700118

IUPAC3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCC(C)Oc1ccccc1-c1c[nH]c2ncc(-c3cccc(O)c3)cc12
InChIInChI=1S/C22H20N2O2/c1-14(2)26-21-9-4-3-8-18(21)20-13-24-22-19(20)11-16(12-23-22)15-6-5-7-17(25)10-15/h3-14,25H,1-2H3,(H,23,24)
InChIKeyJTAVGFXQEBUIOH-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.39
Rot. Bonds4

About 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 59700118) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID59700118
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCC(C)Oc1ccccc1-c1c[nH]c2ncc(-c3cccc(O)c3)cc12
InChIInChI=1S/C22H20N2O2/c1-14(2)26-21-9-4-3-8-18(21)20-13-24-22-19(20)11-16(12-23-22)15-6-5-7-17(25)10-15/h3-14,25H,1-2H3,(H,23,24)
InChIKeyJTAVGFXQEBUIOH-UHFFFAOYSA-N
XLogP5.39
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 59700118) is 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is CC(C)Oc1ccccc1-c1c[nH]c2ncc(-c3cccc(O)c3)cc12.
What is the InChIKey of 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is JTAVGFXQEBUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14(2)26-21-9-4-3-8-18(21)20-13-24-22-19(20)11-16(12-23-22)15-6-5-7-17(25)10-15/h3-14,25H,1-2H3,(H,23,24).
What are the key properties of 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 344.41 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 59700118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).