4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide

C19H12N4O2 — CID 155482537

IUPAC4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C19H12N4O2/c20-10-12-1-3-13(4-2-12)19(24)21-15-5-6-17-16(9-15)18(23-22-17)14-7-8-25-11-14/h1-9,11H,(H,21,24)(H,22,23)
InChIKeyPGXIWSRADSNICD-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.95
Rot. Bonds3

About 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide

4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide (PubChem CID 155482537) has the molecular formula C19H12N4O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide
PubChem CID155482537
Molecular FormulaC19H12N4O2
Molecular Weight328.33 g/mol
Exact Mass328.10
IUPAC Name4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C19H12N4O2/c20-10-12-1-3-13(4-2-12)19(24)21-15-5-6-17-16(9-15)18(23-22-17)14-7-8-25-11-14/h1-9,11H,(H,21,24)(H,22,23)
InChIKeyPGXIWSRADSNICD-UHFFFAOYSA-N
XLogP3.95
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-(furan-3-yl)-1H-indazol-3-yl)butyramide
CID 9993220
N-[6-(furan-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539610
N-[3-[[3-[(E)-2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 22978274
US11427558, Example 6
CID 155481735
US11427558, Example 7
CID 155482441
US11427558, Example 3
CID 155482449
US11427558, Example 173
CID 155482472
US11427558, Example 1
CID 155574753
N-[3-(furan-3-yl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
CID 155134599
(1S)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166722431
(1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166722433
3-(furan-3-yl)-1H-indazole-5-carboxamide
CID 22479981

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
The IUPAC name of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide (CID 155482537) is 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
The canonical SMILES for 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide is N#Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)cc1.
What is the InChIKey of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
The InChIKey is PGXIWSRADSNICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2/c20-10-12-1-3-13(4-2-12)19(24)21-15-5-6-17-16(9-15)18(23-22-17)14-7-8-25-11-14/h1-9,11H,(H,21,24)(H,22,23).
What are the key properties of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide has a molecular weight of 328.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 155482537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).