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

C24H25N7O — CID 135497796

IUPAC1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CN(C)C)c5C)cc34)nc12
InChIInChI=1S/C24H25N7O/c1-14-17(12-31(2)3)9-25-11-19(14)16-8-18-22(29-30-23(18)26-10-16)24-27-20-7-5-6-15(13-32-4)21(20)28-24/h5-11H,12-13H2,1-4H3,(H,27,28)(H,26,29,30)
InChIKeyYYLANZMXEHVFRJ-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.08
Rot. Bonds6

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

1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 135497796) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID135497796
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CN(C)C)c5C)cc34)nc12
InChIInChI=1S/C24H25N7O/c1-14-17(12-31(2)3)9-25-11-19(14)16-8-18-22(29-30-23(18)26-10-16)24-27-20-7-5-6-15(13-32-4)21(20)28-24/h5-11H,12-13H2,1-4H3,(H,27,28)(H,26,29,30)
InChIKeyYYLANZMXEHVFRJ-UHFFFAOYSA-N
XLogP4.08
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine (CID 135497796) is 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine is COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(CN(C)C)c5C)cc34)nc12.
What is the InChIKey of 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is YYLANZMXEHVFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-14-17(12-31(2)3)9-25-11-19(14)16-8-18-22(29-30-23(18)26-10-16)24-27-20-7-5-6-15(13-32-4)21(20)28-24/h5-11H,12-13H2,1-4H3,(H,27,28)(H,26,29,30).
What are the key properties of 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine?
1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 427.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 135497796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).