2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine

C26H20F2N8O — CID 137056184

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(-c7ccoc7)c6[nH]5)c4c3)c2)C1
InChIInChI=1S/C26H20F2N8O/c27-26(28)3-5-36(14-26)12-15-7-17(10-29-9-15)18-8-20-22(34-35-23(20)31-11-18)25-32-21-19(16-2-6-37-13-16)1-4-30-24(21)33-25/h1-2,4,6-11,13H,3,5,12,14H2,(H,30,32,33)(H,31,34,35)
InChIKeyPUOVOJFFUOJWID-UHFFFAOYSA-N
MW498.50 g/mol
LogP5.06
Rot. Bonds5

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137056184) has the molecular formula C26H20F2N8O and a molecular weight of 498.50 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID137056184
Molecular FormulaC26H20F2N8O
Molecular Weight498.50 g/mol
Exact Mass498.17
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(-c7ccoc7)c6[nH]5)c4c3)c2)C1
InChIInChI=1S/C26H20F2N8O/c27-26(28)3-5-36(14-26)12-15-7-17(10-29-9-15)18-8-20-22(34-35-23(20)31-11-18)25-32-21-19(16-2-6-37-13-16)1-4-30-24(21)33-25/h1-2,4,6-11,13H,3,5,12,14H2,(H,30,32,33)(H,31,34,35)
InChIKeyPUOVOJFFUOJWID-UHFFFAOYSA-N
XLogP5.06
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.50
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine (CID 137056184) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine is FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(-c7ccoc7)c6[nH]5)c4c3)c2)C1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is PUOVOJFFUOJWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N8O/c27-26(28)3-5-36(14-26)12-15-7-17(10-29-9-15)18-8-20-22(34-35-23(20)31-11-18)25-32-21-19(16-2-6-37-13-16)1-4-30-24(21)33-25/h1-2,4,6-11,13H,3,5,12,14H2,(H,30,32,33)(H,31,34,35).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 498.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).