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

C27H23FN8OS — CID 136937641

IUPAC3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)s1
InChIInChI=1S/C27H23FN8OS/c28-23-4-3-22(38-23)18-5-6-30-26-24(18)32-27(33-26)25-19-12-20(31-15-21(19)34-35-25)16-11-17(14-29-13-16)37-10-9-36-7-1-2-8-36/h3-6,11-15H,1-2,7-10H2,(H,34,35)(H,30,32,33)
InChIKeyYWOVKCQEDIHGIS-UHFFFAOYSA-N
MW526.60 g/mol
LogP5.30
Rot. Bonds7

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

3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136937641) has the molecular formula C27H23FN8OS and a molecular weight of 526.60 g/mol. Its IUPAC name is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID136937641
Molecular FormulaC27H23FN8OS
Molecular Weight526.60 g/mol
Exact Mass526.17
IUPAC Name3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)s1
InChIInChI=1S/C27H23FN8OS/c28-23-4-3-22(38-23)18-5-6-30-26-24(18)32-27(33-26)25-19-12-20(31-15-21(19)34-35-25)16-11-17(14-29-13-16)37-10-9-36-7-1-2-8-36/h3-6,11-15H,1-2,7-10H2,(H,34,35)(H,30,32,33)
InChIKeyYWOVKCQEDIHGIS-UHFFFAOYSA-N
XLogP5.30
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 136937641) is 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)s1.
What is the InChIKey of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is YWOVKCQEDIHGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8OS/c28-23-4-3-22(38-23)18-5-6-30-26-24(18)32-27(33-26)25-19-12-20(31-15-21(19)34-35-25)16-11-17(14-29-13-16)37-10-9-36-7-1-2-8-36/h3-6,11-15H,1-2,7-10H2,(H,34,35)(H,30,32,33).
What are the key properties of 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 526.60 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136937641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).