(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C26H19F2N3O2 — CID 58086261

IUPAC(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1c(F)ccc(OCc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C26H19F2N3O2/c27-21-8-9-22(33-15-16-5-2-1-3-6-16)24(28)23(21)25(32)20-14-31-26-19(20)11-18(13-30-26)17-7-4-10-29-12-17/h1-14,25,32H,15H2,(H,30,31)
InChIKeyHIINGIMGDZICNC-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.56
Rot. Bonds6

About (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 58086261) has the molecular formula C26H19F2N3O2 and a molecular weight of 443.45 g/mol. Its IUPAC name is (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID58086261
Molecular FormulaC26H19F2N3O2
Molecular Weight443.45 g/mol
Exact Mass443.14
IUPAC Name(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1c(F)ccc(OCc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C26H19F2N3O2/c27-21-8-9-22(33-15-16-5-2-1-3-6-16)24(28)23(21)25(32)20-14-31-26-19(20)11-18(13-30-26)17-7-4-10-29-12-17/h1-14,25,32H,15H2,(H,30,31)
InChIKeyHIINGIMGDZICNC-UHFFFAOYSA-N
XLogP5.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 58086261) is (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is OC(c1c(F)ccc(OCc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.
What is the InChIKey of (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is HIINGIMGDZICNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2/c27-21-8-9-22(33-15-16-5-2-1-3-6-16)24(28)23(21)25(32)20-14-31-26-19(20)11-18(13-30-26)17-7-4-10-29-12-17/h1-14,25,32H,15H2,(H,30,31).
What are the key properties of (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 443.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 58086261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).