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

C23H18N6O — CID 135497883

IUPAC5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ccccc56)cc34)nc12
InChIInChI=1S/C23H18N6O/c1-30-12-13-5-4-8-19-20(13)27-23(26-19)21-16-9-14(10-25-22(16)29-28-21)17-11-24-18-7-3-2-6-15(17)18/h2-11,24H,12H2,1H3,(H,26,27)(H,25,28,29)
InChIKeySMCZFGKFMRZQGM-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.80
Rot. Bonds4

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

5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 135497883) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID135497883
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ccccc56)cc34)nc12
InChIInChI=1S/C23H18N6O/c1-30-12-13-5-4-8-19-20(13)27-23(26-19)21-16-9-14(10-25-22(16)29-28-21)17-11-24-18-7-3-2-6-15(17)18/h2-11,24H,12H2,1H3,(H,26,27)(H,25,28,29)
InChIKeySMCZFGKFMRZQGM-UHFFFAOYSA-N
XLogP4.80
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 135497883) is 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ccccc56)cc34)nc12.
What is the InChIKey of 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SMCZFGKFMRZQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-30-12-13-5-4-8-19-20(13)27-23(26-19)21-16-9-14(10-25-22(16)29-28-21)17-11-24-18-7-3-2-6-15(17)18/h2-11,24H,12H2,1H3,(H,26,27)(H,25,28,29).
What are the key properties of 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 394.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 135497883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).