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

C16H12N4O — CID 135983722

IUPAC3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
InChIInChI=1S/C16H12N4O/c21-12-3-1-2-10(6-12)11-7-13-14(15-4-5-19-20-15)9-18-16(13)17-8-11/h1-9,21H,(H,17,18)(H,19,20)
InChIKeyUGXHGFTWSGRUQW-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.33
Rot. Bonds2

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

3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 135983722) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID135983722
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1
InChIInChI=1S/C16H12N4O/c21-12-3-1-2-10(6-12)11-7-13-14(15-4-5-19-20-15)9-18-16(13)17-8-11/h1-9,21H,(H,17,18)(H,19,20)
InChIKeyUGXHGFTWSGRUQW-UHFFFAOYSA-N
XLogP3.33
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
5-(1-hydroxypyridin-1-ium-3-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147217428
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700118
3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700024
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 143178876
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
CID 122421773
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 135983722) is 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Oc1cccc(-c2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1.
What is the InChIKey of 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is UGXHGFTWSGRUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-12-3-1-2-10(6-12)11-7-13-14(15-4-5-19-20-15)9-18-16(13)17-8-11/h1-9,21H,(H,17,18)(H,19,20).
What are the key properties of 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 276.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 135983722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).