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

C21H18N6O — CID 135497792

IUPAC3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cnccc5C)cc34)nc12
InChIInChI=1S/C21H18N6O/c1-12-6-7-22-10-16(12)14-8-15-19(26-27-20(15)23-9-14)21-24-17-5-3-4-13(11-28-2)18(17)25-21/h3-10H,11H2,1-2H3,(H,24,25)(H,23,26,27)
InChIKeyBHICOBHRBVJPJB-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.02
Rot. Bonds4

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

3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 135497792) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID135497792
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cnccc5C)cc34)nc12
InChIInChI=1S/C21H18N6O/c1-12-6-7-22-10-16(12)14-8-15-19(26-27-20(15)23-9-14)21-24-17-5-3-4-13(11-28-2)18(17)25-21/h3-10H,11H2,1-2H3,(H,24,25)(H,23,26,27)
InChIKeyBHICOBHRBVJPJB-UHFFFAOYSA-N
XLogP4.02
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.02
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-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 135497792) is 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cnccc5C)cc34)nc12.
What is the InChIKey of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BHICOBHRBVJPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-12-6-7-22-10-16(12)14-8-15-19(26-27-20(15)23-9-14)21-24-17-5-3-4-13(11-28-2)18(17)25-21/h3-10H,11H2,1-2H3,(H,24,25)(H,23,26,27).
What are the key properties of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 370.42 g/mol, XLogP of 4.02, 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-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 135497792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).