5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C25H17FN6O2 — CID 136937871

IUPAC5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)[nH]c23)c1
InChIInChI=1S/C25H17FN6O2/c1-34-18-8-14(6-16(26)10-18)19-4-5-28-24-22(19)29-25(30-24)23-20-9-13(2-3-21(20)31-32-23)15-7-17(33)12-27-11-15/h2-12,33H,1H3,(H,31,32)(H,28,29,30)
InChIKeyFWQRVMCOHYUFJA-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.08
Rot. Bonds4

About 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 136937871) has the molecular formula C25H17FN6O2 and a molecular weight of 452.45 g/mol. Its IUPAC name is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID136937871
Molecular FormulaC25H17FN6O2
Molecular Weight452.45 g/mol
Exact Mass452.14
IUPAC Name5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCOc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)[nH]c23)c1
InChIInChI=1S/C25H17FN6O2/c1-34-18-8-14(6-16(26)10-18)19-4-5-28-24-22(19)29-25(30-24)23-20-9-13(2-3-21(20)31-32-23)15-7-17(33)12-27-11-15/h2-12,33H,1H3,(H,31,32)(H,28,29,30)
InChIKeyFWQRVMCOHYUFJA-UHFFFAOYSA-N
XLogP5.08
TPSA112.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 136937871) is 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is COc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)[nH]c23)c1.
What is the InChIKey of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is FWQRVMCOHYUFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O2/c1-34-18-8-14(6-16(26)10-18)19-4-5-28-24-22(19)29-25(30-24)23-20-9-13(2-3-21(20)31-32-23)15-7-17(33)12-27-11-15/h2-12,33H,1H3,(H,31,32)(H,28,29,30).
What are the key properties of 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 452.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 136937871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).