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

C27H23FN8O — CID 136945362

IUPAC4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)cnc2n[nH]c(-c3nc4c(-c5ccoc5)nccc4[nH]3)c12
InChIInChI=1S/C27H23FN8O/c28-22-19(18-10-16(11-29-12-18)14-36-7-2-1-3-8-36)13-31-26-21(22)25(34-35-26)27-32-20-4-6-30-23(24(20)33-27)17-5-9-37-15-17/h4-6,9-13,15H,1-3,7-8,14H2,(H,32,33)(H,31,34,35)
InChIKeyLEVNJRMPOKLYSC-UHFFFAOYSA-N
MW494.53 g/mol
LogP5.34
Rot. Bonds5

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

4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945362) has the molecular formula C27H23FN8O and a molecular weight of 494.53 g/mol. Its IUPAC name is 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID136945362
Molecular FormulaC27H23FN8O
Molecular Weight494.53 g/mol
Exact Mass494.20
IUPAC Name4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)cnc2n[nH]c(-c3nc4c(-c5ccoc5)nccc4[nH]3)c12
InChIInChI=1S/C27H23FN8O/c28-22-19(18-10-16(11-29-12-18)14-36-7-2-1-3-8-36)13-31-26-21(22)25(34-35-26)27-32-20-4-6-30-23(24(20)33-27)17-5-9-37-15-17/h4-6,9-13,15H,1-3,7-8,14H2,(H,32,33)(H,31,34,35)
InChIKeyLEVNJRMPOKLYSC-UHFFFAOYSA-N
XLogP5.34
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 136945362) is 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)cnc2n[nH]c(-c3nc4c(-c5ccoc5)nccc4[nH]3)c12.
What is the InChIKey of 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is LEVNJRMPOKLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O/c28-22-19(18-10-16(11-29-12-18)14-36-7-2-1-3-8-36)13-31-26-21(22)25(34-35-26)27-32-20-4-6-30-23(24(20)33-27)17-5-9-37-15-17/h4-6,9-13,15H,1-3,7-8,14H2,(H,32,33)(H,31,34,35).
What are the key properties of 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 494.53 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).