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

C21H15N3O — CID 59699792

IUPAC3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)c1
InChIInChI=1S/C21H15N3O/c25-17-3-1-2-13(9-17)16-10-18-19(12-24-21(18)23-11-16)14-4-5-20-15(8-14)6-7-22-20/h1-12,22,25H,(H,23,24)
InChIKeyOSBYOVMMPGMRRW-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.08
Rot. Bonds2

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

3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 59699792) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID59699792
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)c1
InChIInChI=1S/C21H15N3O/c25-17-3-1-2-13(9-17)16-10-18-19(12-24-21(18)23-11-16)14-4-5-20-15(8-14)6-7-22-20/h1-12,22,25H,(H,23,24)
InChIKeyOSBYOVMMPGMRRW-UHFFFAOYSA-N
XLogP5.08
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Pki-166
CID 6918403
Intoplicine
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Meridianin A
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CID 149479
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5,11-dimethyl-
CID 149480
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5,6,11-trimethyl-, hydrate
CID 3068873
4-(3-Hydroxyphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 24772735
3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
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CID 72792831
Tilfrinib
CID 76332983
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 59699792) is 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Oc1cccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)c1.
What is the InChIKey of 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is OSBYOVMMPGMRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-17-3-1-2-13(9-17)16-10-18-19(12-24-21(18)23-11-16)14-4-5-20-15(8-14)6-7-22-20/h1-12,22,25H,(H,23,24).
What are the key properties of 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 325.37 g/mol, XLogP of 5.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 59699792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).