N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide

C23H32N6O3 — CID 134809969

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide
SMILESCC(C)(Oc1nn(CCN2CCOCC2)c2ccccc12)C(=O)NCCCn1ccnc1
InChIInChI=1S/C23H32N6O3/c1-23(2,22(30)25-8-5-10-28-11-9-24-18-28)32-21-19-6-3-4-7-20(19)29(26-21)13-12-27-14-16-31-17-15-27/h3-4,6-7,9,11,18H,5,8,10,12-17H2,1-2H3,(H,25,30)
InChIKeyNTEUDOIRLMQVRT-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.93
Rot. Bonds10

About N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide

N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide (PubChem CID 134809969) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide
PubChem CID134809969
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide
SMILESCC(C)(Oc1nn(CCN2CCOCC2)c2ccccc12)C(=O)NCCCn1ccnc1
InChIInChI=1S/C23H32N6O3/c1-23(2,22(30)25-8-5-10-28-11-9-24-18-28)32-21-19-6-3-4-7-20(19)29(26-21)13-12-27-14-16-31-17-15-27/h3-4,6-7,9,11,18H,5,8,10,12-17H2,1-2H3,(H,25,30)
InChIKeyNTEUDOIRLMQVRT-UHFFFAOYSA-N
XLogP1.93
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide (CID 134809969) is N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide is CC(C)(Oc1nn(CCN2CCOCC2)c2ccccc12)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide?
The InChIKey is NTEUDOIRLMQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-23(2,22(30)25-8-5-10-28-11-9-24-18-28)32-21-19-6-3-4-7-20(19)29(26-21)13-12-27-14-16-31-17-15-27/h3-4,6-7,9,11,18H,5,8,10,12-17H2,1-2H3,(H,25,30).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide?
N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide has a molecular weight of 440.55 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-morpholin-4-ylethyl)indazol-3-yl]oxypropanamide is sourced from PubChem (CID 134809969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).