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

C28H24N8O2S — CID 126535142

IUPAC[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone
SMILESO=C(c1nc2nccc(-c3cccs3)c2[nH]1)c1n[nH]c2ccc(-c3cncc(OCCN4CCCC4)c3)nc12
InChIInChI=1S/C28H24N8O2S/c37-26(28-32-23-19(22-4-3-13-39-22)7-8-30-27(23)33-28)25-24-21(34-35-25)6-5-20(31-24)17-14-18(16-29-15-17)38-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,34,35)(H,30,32,33)
InChIKeyYBJMLOVMRRDLEX-UHFFFAOYSA-N
MW536.62 g/mol
LogP4.73
Rot. Bonds8

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

[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone (PubChem CID 126535142) has the molecular formula C28H24N8O2S and a molecular weight of 536.62 g/mol. Its IUPAC name is [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone
PubChem CID126535142
Molecular FormulaC28H24N8O2S
Molecular Weight536.62 g/mol
Exact Mass536.17
IUPAC Name[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone
SMILESO=C(c1nc2nccc(-c3cccs3)c2[nH]1)c1n[nH]c2ccc(-c3cncc(OCCN4CCCC4)c3)nc12
InChIInChI=1S/C28H24N8O2S/c37-26(28-32-23-19(22-4-3-13-39-22)7-8-30-27(23)33-28)25-24-21(34-35-25)6-5-20(31-24)17-14-18(16-29-15-17)38-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,34,35)(H,30,32,33)
InChIKeyYBJMLOVMRRDLEX-UHFFFAOYSA-N
XLogP4.73
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.62
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The IUPAC name of [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone (CID 126535142) is [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone.
What is the SMILES notation for [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The canonical SMILES for [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone is O=C(c1nc2nccc(-c3cccs3)c2[nH]1)c1n[nH]c2ccc(-c3cncc(OCCN4CCCC4)c3)nc12.
What is the InChIKey of [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The InChIKey is YBJMLOVMRRDLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O2S/c37-26(28-32-23-19(22-4-3-13-39-22)7-8-30-27(23)33-28)25-24-21(34-35-25)6-5-20(31-24)17-14-18(16-29-15-17)38-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,34,35)(H,30,32,33).
What are the key properties of [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone has a molecular weight of 536.62 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone is sourced from PubChem (CID 126535142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).