4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol

C20H15N5O2 — CID 135966068

IUPAC4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)[nH]nc3n2)ccc1O
InChIInChI=1S/C20H15N5O2/c1-27-17-10-11(6-9-16(17)26)13-8-7-12-18(24-25-19(12)21-13)20-22-14-4-2-3-5-15(14)23-20/h2-10,26H,1H3,(H,22,23)(H,21,24,25)
InChIKeyINTRLGLZZMHGAN-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.88
Rot. Bonds3

About 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol

4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol (PubChem CID 135966068) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol
PubChem CID135966068
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)[nH]nc3n2)ccc1O
InChIInChI=1S/C20H15N5O2/c1-27-17-10-11(6-9-16(17)26)13-8-7-12-18(24-25-19(12)21-13)20-22-14-4-2-3-5-15(14)23-20/h2-10,26H,1H3,(H,22,23)(H,21,24,25)
InChIKeyINTRLGLZZMHGAN-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-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol (CID 135966068) is 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol is COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)[nH]nc3n2)ccc1O.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol?
The InChIKey is INTRLGLZZMHGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-27-17-10-11(6-9-16(17)26)13-8-7-12-18(24-25-19(12)21-13)20-22-14-4-2-3-5-15(14)23-20/h2-10,26H,1H3,(H,22,23)(H,21,24,25).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol?
4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-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-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-methoxyphenol is sourced from PubChem (CID 135966068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).