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

C28H25N7O2 — CID 137176930

IUPAC3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(OCCN2CCCC2)cc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H25N7O2/c1-2-8-35(7-1)9-11-37-20-5-3-4-18(12-20)23-13-21-24(16-30-23)33-34-27(21)28-31-25-15-29-14-22(26(25)32-28)19-6-10-36-17-19/h3-6,10,12-17H,1-2,7-9,11H2,(H,31,32)(H,33,34)
InChIKeyUJVSUUDJLSSQRU-UHFFFAOYSA-N
MW491.56 g/mol
LogP5.30
Rot. Bonds7

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

3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137176930) has the molecular formula C28H25N7O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137176930
Molecular FormulaC28H25N7O2
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC Name3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(OCCN2CCCC2)cc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C28H25N7O2/c1-2-8-35(7-1)9-11-37-20-5-3-4-18(12-20)23-13-21-24(16-30-23)33-34-27(21)28-31-25-15-29-14-22(26(25)32-28)19-6-10-36-17-19/h3-6,10,12-17H,1-2,7-9,11H2,(H,31,32)(H,33,34)
InChIKeyUJVSUUDJLSSQRU-UHFFFAOYSA-N
XLogP5.30
TPSA108.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine (CID 137176930) is 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine is c1cc(OCCN2CCCC2)cc(-c2cc3c(-c4nc5c(-c6ccoc6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is UJVSUUDJLSSQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O2/c1-2-8-35(7-1)9-11-37-20-5-3-4-18(12-20)23-13-21-24(16-30-23)33-34-27(21)28-31-25-15-29-14-22(26(25)32-28)19-6-10-36-17-19/h3-6,10,12-17H,1-2,7-9,11H2,(H,31,32)(H,33,34).
What are the key properties of 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine?
3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 491.56 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137176930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).