[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol

C19H14FN3O2 — CID 145491751

IUPAC[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol
SMILESOC(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)c1
InChIInChI=1S/C19H14FN3O2/c20-17-4-2-1-3-14(17)16-10-23-18-15(16)6-12(9-22-18)11-5-13(19(24)25)8-21-7-11/h1-10,19,24-25H,(H,22,23)
InChIKeyRKQLAZSYQLLGOV-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.41
Rot. Bonds3

About [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol

[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol (PubChem CID 145491751) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol.

Molecular Properties

Compound Name[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol
PubChem CID145491751
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol
SMILESOC(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)c1
InChIInChI=1S/C19H14FN3O2/c20-17-4-2-1-3-14(17)16-10-23-18-15(16)6-12(9-22-18)11-5-13(19(24)25)8-21-7-11/h1-10,19,24-25H,(H,22,23)
InChIKeyRKQLAZSYQLLGOV-UHFFFAOYSA-N
XLogP3.41
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N,N-dimethyl-2-[5-[3-(2-sulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 59825089
3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59699705
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010
2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide
CID 59824883
3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 88956542
5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161416992
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-3-methylbutan-1-ol
CID 25155636
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 59824903
N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166911
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol?
The IUPAC name of [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol (CID 145491751) is [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol.
What is the SMILES notation for [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol?
The canonical SMILES for [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol is OC(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2)c1.
What is the InChIKey of [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol?
The InChIKey is RKQLAZSYQLLGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-17-4-2-1-3-14(17)16-10-23-18-15(16)6-12(9-22-18)11-5-13(19(24)25)8-21-7-11/h1-10,19,24-25H,(H,22,23).
What are the key properties of [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol?
[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol has a molecular weight of 335.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol is sourced from PubChem (CID 145491751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).