3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

C20H16N6O — CID 135497800

IUPAC3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccncc5)cc34)nc12
InChIInChI=1S/C20H16N6O/c1-27-11-13-3-2-4-16-17(13)24-20(23-16)18-15-9-14(10-22-19(15)26-25-18)12-5-7-21-8-6-12/h2-10H,11H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyVCQAGQAPRXRROI-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.71
Rot. Bonds4

About 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 135497800) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID135497800
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccncc5)cc34)nc12
InChIInChI=1S/C20H16N6O/c1-27-11-13-3-2-4-16-17(13)24-20(23-16)18-15-9-14(10-22-19(15)26-25-18)12-5-7-21-8-6-12/h2-10H,11H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyVCQAGQAPRXRROI-UHFFFAOYSA-N
XLogP3.71
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 135497800) is 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccncc5)cc34)nc12.
What is the InChIKey of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is VCQAGQAPRXRROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-27-11-13-3-2-4-16-17(13)24-20(23-16)18-15-9-14(10-22-19(15)26-25-18)12-5-7-21-8-6-12/h2-10H,11H2,1H3,(H,23,24)(H,22,25,26).
What are the key properties of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 356.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 135497800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).