N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

C25H22N8OS — CID 137109983

IUPACN,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C25H22N8OS/c1-33(2)7-8-34-16-10-15(11-26-12-16)18-5-6-19-23(28-18)24(32-31-19)25-29-20-14-27-13-17(22(20)30-25)21-4-3-9-35-21/h3-6,9-14H,7-8H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyACCOPZHUQYKNHL-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.63
Rot. Bonds7

About N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 137109983) has the molecular formula C25H22N8OS and a molecular weight of 482.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
PubChem CID137109983
Molecular FormulaC25H22N8OS
Molecular Weight482.57 g/mol
Exact Mass482.16
IUPAC NameN,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3n2)c1
InChIInChI=1S/C25H22N8OS/c1-33(2)7-8-34-16-10-15(11-26-12-16)18-5-6-19-23(28-18)24(32-31-19)25-29-20-14-27-13-17(22(20)30-25)21-4-3-9-35-21/h3-6,9-14H,7-8H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyACCOPZHUQYKNHL-UHFFFAOYSA-N
XLogP4.63
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-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-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (CID 137109983) is N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-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-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3n2)c1.
What is the InChIKey of N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The InChIKey is ACCOPZHUQYKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8OS/c1-33(2)7-8-34-16-10-15(11-26-12-16)18-5-6-19-23(28-18)24(32-31-19)25-29-20-14-27-13-17(22(20)30-25)21-4-3-9-35-21/h3-6,9-14H,7-8H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 482.57 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 137109983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).