2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide

C31H27N5O3 — CID 19932550

IUPAC2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide
SMILESN#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1Cc1c(CN3CCOCC3)cccc1-2
InChIInChI=1S/C31H27N5O3/c32-19-27(31(38)33-22-9-3-1-4-10-22)30(37)28-26-18-25-21(20-35-14-16-39-17-15-35)8-7-13-24(25)29(26)36(34-28)23-11-5-2-6-12-23/h1-13,27H,14-18,20H2,(H,33,38)
InChIKeyDQUSDAPCBDTIQX-UHFFFAOYSA-N
MW517.59 g/mol
LogP4.24
Rot. Bonds7

About 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide

2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide (PubChem CID 19932550) has the molecular formula C31H27N5O3 and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide
PubChem CID19932550
Molecular FormulaC31H27N5O3
Molecular Weight517.59 g/mol
Exact Mass517.21
IUPAC Name2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide
SMILESN#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1Cc1c(CN3CCOCC3)cccc1-2
InChIInChI=1S/C31H27N5O3/c32-19-27(31(38)33-22-9-3-1-4-10-22)30(37)28-26-18-25-21(20-35-14-16-39-17-15-35)8-7-13-24(25)29(26)36(34-28)23-11-5-2-6-12-23/h1-13,27H,14-18,20H2,(H,33,38)
InChIKeyDQUSDAPCBDTIQX-UHFFFAOYSA-N
XLogP4.24
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide 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 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide?
The IUPAC name of 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide (CID 19932550) is 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide?
The canonical SMILES for 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide is N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1Cc1c(CN3CCOCC3)cccc1-2.
What is the InChIKey of 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide?
The InChIKey is DQUSDAPCBDTIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O3/c32-19-27(31(38)33-22-9-3-1-4-10-22)30(37)28-26-18-25-21(20-35-14-16-39-17-15-35)8-7-13-24(25)29(26)36(34-28)23-11-5-2-6-12-23/h1-13,27H,14-18,20H2,(H,33,38).
What are the key properties of 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide?
2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide has a molecular weight of 517.59 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-(morpholin-4-ylmethyl)-1-phenyl-4H-indeno[2,1-d]pyrazol-3-yl]-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 19932550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).