N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide

C20H14N4O2 — CID 118335373

IUPACN-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESN#Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1
InChIInChI=1S/C20H14N4O2/c21-11-14-5-7-15(8-6-14)12-24-18-4-2-1-3-17(18)19(23-24)22-20(25)16-9-10-26-13-16/h1-10,13H,12H2,(H,22,23,25)
InChIKeyHXKUTOKNDLXFGZ-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.80
Rot. Bonds4

About N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide

N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 118335373) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID118335373
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC NameN-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESN#Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1
InChIInChI=1S/C20H14N4O2/c21-11-14-5-7-15(8-6-14)12-24-18-4-2-1-3-17(18)19(23-24)22-20(25)16-9-10-26-13-16/h1-10,13H,12H2,(H,22,23,25)
InChIKeyHXKUTOKNDLXFGZ-UHFFFAOYSA-N
XLogP3.80
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide (CID 118335373) is N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide is N#Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is HXKUTOKNDLXFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c21-11-14-5-7-15(8-6-14)12-24-18-4-2-1-3-17(18)19(23-24)22-20(25)16-9-10-26-13-16/h1-10,13H,12H2,(H,22,23,25).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118335373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).