N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

C26H23N7OS — CID 137087491

IUPACN,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C26H23N7OS/c1-33(2)10-11-34-17-13-16(14-27-15-17)19-8-9-21-24(28-19)25(32-31-21)26-29-20-6-3-5-18(23(20)30-26)22-7-4-12-35-22/h3-9,12-15H,10-11H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyUYXJWLJHYMWNOU-UHFFFAOYSA-N
MW481.59 g/mol
LogP5.23
Rot. Bonds7

About N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 137087491) has the molecular formula C26H23N7OS and a molecular weight of 481.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
PubChem CID137087491
Molecular FormulaC26H23N7OS
Molecular Weight481.59 g/mol
Exact Mass481.17
IUPAC NameN,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C26H23N7OS/c1-33(2)10-11-34-17-13-16(14-27-15-17)19-8-9-21-24(28-19)25(32-31-21)26-29-20-6-3-5-18(23(20)30-26)22-7-4-12-35-22/h3-9,12-15H,10-11H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyUYXJWLJHYMWNOU-UHFFFAOYSA-N
XLogP5.23
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (CID 137087491) is N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The InChIKey is UYXJWLJHYMWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7OS/c1-33(2)10-11-34-17-13-16(14-27-15-17)19-8-9-21-24(28-19)25(32-31-21)26-29-20-6-3-5-18(23(20)30-26)22-7-4-12-35-22/h3-9,12-15H,10-11H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 481.59 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 137087491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).