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

C24H25N5O3 — CID 5329617

IUPACN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCOCC4)cccc2-3)cc1
InChIInChI=1S/C24H25N5O3/c1-28(2)16-8-6-15(7-9-16)22-21-23(27-26-22)17-4-3-5-18(20(17)24(21)31)25-19(30)14-29-10-12-32-13-11-29/h3-9H,10-14H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyDXVKJMDIJODFKP-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.62
Rot. Bonds5

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

N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide (PubChem CID 5329617) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide
PubChem CID5329617
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCOCC4)cccc2-3)cc1
InChIInChI=1S/C24H25N5O3/c1-28(2)16-8-6-15(7-9-16)22-21-23(27-26-22)17-4-3-5-18(20(17)24(21)31)25-19(30)14-29-10-12-32-13-11-29/h3-9H,10-14H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyDXVKJMDIJODFKP-UHFFFAOYSA-N
XLogP2.62
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide (CID 5329617) is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide is CN(C)c1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN4CCOCC4)cccc2-3)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide?
The InChIKey is DXVKJMDIJODFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-28(2)16-8-6-15(7-9-16)22-21-23(27-26-22)17-4-3-5-18(20(17)24(21)31)25-19(30)14-29-10-12-32-13-11-29/h3-9H,10-14H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide?
N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide has a molecular weight of 431.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5329617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).