[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid

C26H27N5O4 — CID 67420420

IUPAC[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid
SMILESN#Cc1cccc(-c2ccc(=O)n(Cc3cccc(N(CCCN4CCOCC4)C(=O)O)c3)n2)c1
InChIInChI=1S/C26H27N5O4/c27-18-20-4-1-6-22(16-20)24-8-9-25(32)31(28-24)19-21-5-2-7-23(17-21)30(26(33)34)11-3-10-29-12-14-35-15-13-29/h1-2,4-9,16-17H,3,10-15,19H2,(H,33,34)
InChIKeyOWPTXUWVZNGWBW-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.04
Rot. Bonds8

About [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid

[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid (PubChem CID 67420420) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid.

Molecular Properties

Compound Name[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid
PubChem CID67420420
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid
SMILESN#Cc1cccc(-c2ccc(=O)n(Cc3cccc(N(CCCN4CCOCC4)C(=O)O)c3)n2)c1
InChIInChI=1S/C26H27N5O4/c27-18-20-4-1-6-22(16-20)24-8-9-25(32)31(28-24)19-21-5-2-7-23(17-21)30(26(33)34)11-3-10-29-12-14-35-15-13-29/h1-2,4-9,16-17H,3,10-15,19H2,(H,33,34)
InChIKeyOWPTXUWVZNGWBW-UHFFFAOYSA-N
XLogP3.04
TPSA111.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid?
The IUPAC name of [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid (CID 67420420) is [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid.
What is the SMILES notation for [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid?
The canonical SMILES for [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid is N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(N(CCCN4CCOCC4)C(=O)O)c3)n2)c1.
What is the InChIKey of [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid?
The InChIKey is OWPTXUWVZNGWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c27-18-20-4-1-6-22(16-20)24-8-9-25(32)31(28-24)19-21-5-2-7-23(17-21)30(26(33)34)11-3-10-29-12-14-35-15-13-29/h1-2,4-9,16-17H,3,10-15,19H2,(H,33,34).
What are the key properties of [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid?
[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid has a molecular weight of 473.53 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-(3-morpholin-4-ylpropyl)carbamic acid is sourced from PubChem (CID 67420420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).