N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide

C24H33N5O2 — CID 58559283

IUPACN-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide
SMILESCCn1nc(C(=O)/N=C(\N)c2ccc(CN3CCOCC3)cc2)c2c1CC(C)(C)CC2
InChIInChI=1S/C24H33N5O2/c1-4-29-20-15-24(2,3)10-9-19(20)21(27-29)23(30)26-22(25)18-7-5-17(6-8-18)16-28-11-13-31-14-12-28/h5-8H,4,9-16H2,1-3H3,(H2,25,26,30)
InChIKeyVEIFXDPTGIHSPC-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.80
Rot. Bonds5

About N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide

N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide (PubChem CID 58559283) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide
PubChem CID58559283
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide
SMILESCCn1nc(C(=O)/N=C(\N)c2ccc(CN3CCOCC3)cc2)c2c1CC(C)(C)CC2
InChIInChI=1S/C24H33N5O2/c1-4-29-20-15-24(2,3)10-9-19(20)21(27-29)23(30)26-22(25)18-7-5-17(6-8-18)16-28-11-13-31-14-12-28/h5-8H,4,9-16H2,1-3H3,(H2,25,26,30)
InChIKeyVEIFXDPTGIHSPC-UHFFFAOYSA-N
XLogP2.80
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 155953651
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 71882995
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
CID 24724267
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
CID 59303659
CID 59303659
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660

Frequently Asked Questions

What is the IUPAC name of N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide?
The IUPAC name of N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide (CID 58559283) is N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide.
What is the SMILES notation for N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide?
The canonical SMILES for N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide is CCn1nc(C(=O)/N=C(\N)c2ccc(CN3CCOCC3)cc2)c2c1CC(C)(C)CC2.
What is the InChIKey of N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide?
The InChIKey is VEIFXDPTGIHSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-4-29-20-15-24(2,3)10-9-19(20)21(27-29)23(30)26-22(25)18-7-5-17(6-8-18)16-28-11-13-31-14-12-28/h5-8H,4,9-16H2,1-3H3,(H2,25,26,30).
What are the key properties of N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide?
N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 58559283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).