5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C25H16FN5O2 — CID 137037979

IUPAC5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C25H16FN5O2/c26-16-3-14(4-17(32)7-16)21-11-28-12-24-19(21)8-23(29-24)25-20-6-13(1-2-22(20)30-31-25)15-5-18(33)10-27-9-15/h1-12,29,32-33H,(H,30,31)
InChIKeyVWMXQMDWVNFVOU-UHFFFAOYSA-N
MW437.43 g/mol
LogP5.39
Rot. Bonds3

About 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 137037979) has the molecular formula C25H16FN5O2 and a molecular weight of 437.43 g/mol. Its IUPAC name is 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID137037979
Molecular FormulaC25H16FN5O2
Molecular Weight437.43 g/mol
Exact Mass437.13
IUPAC Name5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C25H16FN5O2/c26-16-3-14(4-17(32)7-16)21-11-28-12-24-19(21)8-23(29-24)25-20-6-13(1-2-22(20)30-31-25)15-5-18(33)10-27-9-15/h1-12,29,32-33H,(H,30,31)
InChIKeyVWMXQMDWVNFVOU-UHFFFAOYSA-N
XLogP5.39
TPSA110.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.43
LogP ≤ 55.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 137037979) is 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is VWMXQMDWVNFVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5O2/c26-16-3-14(4-17(32)7-16)21-11-28-12-24-19(21)8-23(29-24)25-20-6-13(1-2-22(20)30-31-25)15-5-18(33)10-27-9-15/h1-12,29,32-33H,(H,30,31).
What are the key properties of 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 437.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137037979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).