2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

C27H24N8OS — CID 137056938

IUPAC2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cc(-c2ccsc2)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2n1
InChIInChI=1S/C27H24N8OS/c1-2-7-35(6-1)8-9-36-20-11-18(13-28-15-20)19-12-22-24(33-34-25(22)30-14-19)27-31-23-21(17-4-10-37-16-17)3-5-29-26(23)32-27/h3-5,10-16H,1-2,6-9H2,(H,29,31,32)(H,30,33,34)
InChIKeyKCIJWQMGAWVVHJ-UHFFFAOYSA-N
MW508.61 g/mol
LogP5.16
Rot. Bonds7

About 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137056938) has the molecular formula C27H24N8OS and a molecular weight of 508.61 g/mol. Its IUPAC name is 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID137056938
Molecular FormulaC27H24N8OS
Molecular Weight508.61 g/mol
Exact Mass508.18
IUPAC Name2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cc(-c2ccsc2)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2n1
InChIInChI=1S/C27H24N8OS/c1-2-7-35(6-1)8-9-36-20-11-18(13-28-15-20)19-12-22-24(33-34-25(22)30-14-19)27-31-23-21(17-4-10-37-16-17)3-5-29-26(23)32-27/h3-5,10-16H,1-2,6-9H2,(H,29,31,32)(H,30,33,34)
InChIKeyKCIJWQMGAWVVHJ-UHFFFAOYSA-N
XLogP5.16
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenyl-7-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406866
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691156
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038094
3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137038732
2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 137042007
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
5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111356
US10544143, Example 107
CID 138686226
US10544143, Example 132
CID 138686289
US10544143, Example 600
CID 138686805
US10544143, Example 598
CID 138687007

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 137056938) is 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is c1cc(-c2ccsc2)c2[nH]c(-c3[nH]nc4ncc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2n1.
What is the InChIKey of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is KCIJWQMGAWVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8OS/c1-2-7-35(6-1)8-9-36-20-11-18(13-28-15-20)19-12-22-24(33-34-25(22)30-14-19)27-31-23-21(17-4-10-37-16-17)3-5-29-26(23)32-27/h3-5,10-16H,1-2,6-9H2,(H,29,31,32)(H,30,33,34).
What are the key properties of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 508.61 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).