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

C26H21FN8O — CID 137102230

IUPAC4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C26H21FN8O/c27-21-20-19(12-30-22(21)17-9-15(10-28-11-17)13-35-6-1-2-7-35)33-34-24(20)26-31-23-18(16-4-8-36-14-16)3-5-29-25(23)32-26/h3-5,8-12,14H,1-2,6-7,13H2,(H,33,34)(H,29,31,32)
InChIKeyXAQIALFRXAPWNR-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.95
Rot. Bonds5

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

4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137102230) has the molecular formula C26H21FN8O and a molecular weight of 480.51 g/mol. Its IUPAC name is 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137102230
Molecular FormulaC26H21FN8O
Molecular Weight480.51 g/mol
Exact Mass480.18
IUPAC Name4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCC3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C26H21FN8O/c27-21-20-19(12-30-22(21)17-9-15(10-28-11-17)13-35-6-1-2-7-35)33-34-24(20)26-31-23-18(16-4-8-36-14-16)3-5-29-25(23)32-26/h3-5,8-12,14H,1-2,6-7,13H2,(H,33,34)(H,29,31,32)
InChIKeyXAQIALFRXAPWNR-UHFFFAOYSA-N
XLogP4.95
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137102230) is 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1c(-c2cncc(CN3CCCC3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12.
What is the InChIKey of 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XAQIALFRXAPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O/c27-21-20-19(12-30-22(21)17-9-15(10-28-11-17)13-35-6-1-2-7-35)33-34-24(20)26-31-23-18(16-4-8-36-14-16)3-5-29-25(23)32-26/h3-5,8-12,14H,1-2,6-7,13H2,(H,33,34)(H,29,31,32).
What are the key properties of 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 480.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137102230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).