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

C27H24N8OS — CID 136945686

IUPAC2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2c(-c2ccsc2)n1
InChIInChI=1S/C27H24N8OS/c1-2-7-35(6-1)8-9-36-20-11-18(13-28-15-20)19-12-21-24(33-34-26(21)30-14-19)27-31-22-3-5-29-23(25(22)32-27)17-4-10-37-16-17/h3-5,10-16H,1-2,6-9H2,(H,31,32)(H,30,33,34)
InChIKeyIVGNYIDBFAGAHY-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]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136945686) 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]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
PubChem CID136945686
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]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2c(-c2ccsc2)n1
InChIInChI=1S/C27H24N8OS/c1-2-7-35(6-1)8-9-36-20-11-18(13-28-15-20)19-12-21-24(33-34-26(21)30-14-19)27-31-22-3-5-29-23(25(22)32-27)17-4-10-37-16-17/h3-5,10-16H,1-2,6-9H2,(H,31,32)(H,30,33,34)
InChIKeyIVGNYIDBFAGAHY-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]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine with MolForge

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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]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (CID 136945686) is 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is c1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2c(-c2ccsc2)n1.
What is the InChIKey of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is IVGNYIDBFAGAHY-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)19-12-21-24(33-34-26(21)30-14-19)27-31-22-3-5-29-23(25(22)32-27)17-4-10-37-16-17/h3-5,10-16H,1-2,6-9H2,(H,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]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]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]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136945686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).