4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol

C20H15N5O2 — CID 135839323

IUPAC4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4ccncc4[nH]3)n[nH]c2c1
InChIInChI=1S/C20H15N5O2/c1-27-18-9-12(26)3-5-13(18)11-2-4-14-16(8-11)24-25-19(14)20-22-15-6-7-21-10-17(15)23-20/h2-10,26H,1H3,(H,22,23)(H,24,25)
InChIKeyFAXXJQZGWUAADG-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.88
Rot. Bonds3

About 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol

4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol (PubChem CID 135839323) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
PubChem CID135839323
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3nc4ccncc4[nH]3)n[nH]c2c1
InChIInChI=1S/C20H15N5O2/c1-27-18-9-12(26)3-5-13(18)11-2-4-14-16(8-11)24-25-19(14)20-22-15-6-7-21-10-17(15)23-20/h2-10,26H,1H3,(H,22,23)(H,24,25)
InChIKeyFAXXJQZGWUAADG-UHFFFAOYSA-N
XLogP3.88
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
The IUPAC name of 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol (CID 135839323) is 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol.
What is the SMILES notation for 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
The canonical SMILES for 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol is COc1cc(O)ccc1-c1ccc2c(-c3nc4ccncc4[nH]3)n[nH]c2c1.
What is the InChIKey of 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
The InChIKey is FAXXJQZGWUAADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-27-18-9-12(26)3-5-13(18)11-2-4-14-16(8-11)24-25-19(14)20-22-15-6-7-21-10-17(15)23-20/h2-10,26H,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol has a molecular weight of 357.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol is sourced from PubChem (CID 135839323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).