4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol

C22H17N3O — CID 175245340

IUPAC4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol
SMILESCn1cc(-c2cc3cccnc3[nH]2)c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C22H17N3O/c1-25-13-19(20-12-16-3-2-10-23-22(16)24-20)18-11-15(6-9-21(18)25)14-4-7-17(26)8-5-14/h2-13,26H,1H3,(H,23,24)
InChIKeyORJCRYVCBRRFMU-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.09
Rot. Bonds2

About 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol

4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol (PubChem CID 175245340) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol.

Molecular Properties

Compound Name4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol
PubChem CID175245340
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol
SMILESCn1cc(-c2cc3cccnc3[nH]2)c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C22H17N3O/c1-25-13-19(20-12-16-3-2-10-23-22(16)24-20)18-11-15(6-9-21(18)25)14-4-7-17(26)8-5-14/h2-13,26H,1H3,(H,23,24)
InChIKeyORJCRYVCBRRFMU-UHFFFAOYSA-N
XLogP5.09
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol?
The IUPAC name of 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol (CID 175245340) is 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol.
What is the SMILES notation for 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol?
The canonical SMILES for 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol is Cn1cc(-c2cc3cccnc3[nH]2)c2cc(-c3ccc(O)cc3)ccc21.
What is the InChIKey of 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol?
The InChIKey is ORJCRYVCBRRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-25-13-19(20-12-16-3-2-10-23-22(16)24-20)18-11-15(6-9-21(18)25)14-4-7-17(26)8-5-14/h2-13,26H,1H3,(H,23,24).
What are the key properties of 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol?
4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol has a molecular weight of 339.40 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol is sourced from PubChem (CID 175245340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).