(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide

C27H37N3O — CID 25178128

IUPAC(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
InChIKeyUYWJHPBUSXDXOJ-DOFZRALJSA-N
MW419.61 g/mol
LogP7.65
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide (PubChem CID 25178128) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
PubChem CID25178128
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC Name(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-
InChIKeyUYWJHPBUSXDXOJ-DOFZRALJSA-N
XLogP7.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
CID 130453312
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148
N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)octadeca-9,12-dienamide
CID 54181411
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
CID 130441271
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide (CID 25178128) is (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide?
The InChIKey is UYWJHPBUSXDXOJ-DOFZRALJSA-N. The full InChI is InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-25-20-21-26-24(22-25)23-28-30-26/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,30)(H,29,31)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide has a molecular weight of 419.61 g/mol, XLogP of 7.65, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 25178128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).