3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

C24H24N8O — CID 135497806

IUPAC3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccc(N6CCNCC6)nc5)cc34)nc12
InChIInChI=1S/C24H24N8O/c1-33-14-16-3-2-4-19-21(16)29-24(28-19)22-18-11-17(13-27-23(18)31-30-22)15-5-6-20(26-12-15)32-9-7-25-8-10-32/h2-6,11-13,25H,7-10,14H2,1H3,(H,28,29)(H,27,30,31)
InChIKeyADPVEZZFIWOOSL-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.12
Rot. Bonds5

About 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 135497806) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID135497806
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccc(N6CCNCC6)nc5)cc34)nc12
InChIInChI=1S/C24H24N8O/c1-33-14-16-3-2-4-19-21(16)29-24(28-19)22-18-11-17(13-27-23(18)31-30-22)15-5-6-20(26-12-15)32-9-7-25-8-10-32/h2-6,11-13,25H,7-10,14H2,1H3,(H,28,29)(H,27,30,31)
InChIKeyADPVEZZFIWOOSL-UHFFFAOYSA-N
XLogP3.12
TPSA107.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 135497806) is 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccc(N6CCNCC6)nc5)cc34)nc12.
What is the InChIKey of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is ADPVEZZFIWOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-33-14-16-3-2-4-19-21(16)29-24(28-19)22-18-11-17(13-27-23(18)31-30-22)15-5-6-20(26-12-15)32-9-7-25-8-10-32/h2-6,11-13,25H,7-10,14H2,1H3,(H,28,29)(H,27,30,31).
What are the key properties of 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 440.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(6-piperazin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 135497806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).