3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide

C20H15FN4O2 — CID 59797397

IUPAC3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1
InChIInChI=1S/C20H15FN4O2/c21-14-4-1-3-13(9-14)6-7-17-16-10-18(22-12-19(16)25-24-17)20(26)23-11-15-5-2-8-27-15/h1-10,12H,11H2,(H,23,26)(H,24,25)/b7-6+
InChIKeyNGBVEWLNYARJBG-VOTSOKGWSA-N
MW362.36 g/mol
LogP3.79
Rot. Bonds5

About 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide

3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide (PubChem CID 59797397) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide
PubChem CID59797397
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1
InChIInChI=1S/C20H15FN4O2/c21-14-4-1-3-13(9-14)6-7-17-16-10-18(22-12-19(16)25-24-17)20(26)23-11-15-5-2-8-27-15/h1-10,12H,11H2,(H,23,26)(H,24,25)/b7-6+
InChIKeyNGBVEWLNYARJBG-VOTSOKGWSA-N
XLogP3.79
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide (CID 59797397) is 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide is O=C(NCc1ccco1)c1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cn1.
What is the InChIKey of 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
The InChIKey is NGBVEWLNYARJBG-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-14-4-1-3-13(9-14)6-7-17-16-10-18(22-12-19(16)25-24-17)20(26)23-11-15-5-2-8-27-15/h1-10,12H,11H2,(H,23,26)(H,24,25)/b7-6+.
What are the key properties of 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide?
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 59797397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).