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

C26H19F3N8O — CID 137056593

IUPAC5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCC(F)(F)C3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C26H19F3N8O/c27-20-18(16-7-14(8-30-9-16)11-37-5-3-26(28,29)13-37)10-32-23-19(20)22(35-36-23)25-33-21-17(15-2-6-38-12-15)1-4-31-24(21)34-25/h1-2,4,6-10,12H,3,5,11,13H2,(H,31,33,34)(H,32,35,36)
InChIKeyMUFVIGXDWNPQQP-UHFFFAOYSA-N
MW516.49 g/mol
LogP5.20
Rot. Bonds5

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

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056593) has the molecular formula C26H19F3N8O and a molecular weight of 516.49 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056593
Molecular FormulaC26H19F3N8O
Molecular Weight516.49 g/mol
Exact Mass516.16
IUPAC Name5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCC(F)(F)C3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C26H19F3N8O/c27-20-18(16-7-14(8-30-9-16)11-37-5-3-26(28,29)13-37)10-32-23-19(20)22(35-36-23)25-33-21-17(15-2-6-38-12-15)1-4-31-24(21)34-25/h1-2,4,6-10,12H,3,5,11,13H2,(H,31,33,34)(H,32,35,36)
InChIKeyMUFVIGXDWNPQQP-UHFFFAOYSA-N
XLogP5.20
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.49
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137056593) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is Fc1c(-c2cncc(CN3CCC(F)(F)C3)c2)cnc2n[nH]c(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12.
What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MUFVIGXDWNPQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N8O/c27-20-18(16-7-14(8-30-9-16)11-37-5-3-26(28,29)13-37)10-32-23-19(20)22(35-36-23)25-33-21-17(15-2-6-38-12-15)1-4-31-24(21)34-25/h1-2,4,6-10,12H,3,5,11,13H2,(H,31,33,34)(H,32,35,36).
What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 516.49 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).