[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C24H38N4O2 — CID 45161370

IUPAC[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CCC(NCCC1=CCCCC1)C2
InChIInChI=1S/C24H38N4O2/c1-18(2)17-28-22-9-8-20(25-11-10-19-6-4-3-5-7-19)16-21(22)23(26-28)24(29)27-12-14-30-15-13-27/h6,18,20,25H,3-5,7-17H2,1-2H3
InChIKeyUKTPBYIQXSLOMR-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.35
Rot. Bonds7

About [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 45161370) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
PubChem CID45161370
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CCC(NCCC1=CCCCC1)C2
InChIInChI=1S/C24H38N4O2/c1-18(2)17-28-22-9-8-20(25-11-10-19-6-4-3-5-7-19)16-21(22)23(26-28)24(29)27-12-14-30-15-13-27/h6,18,20,25H,3-5,7-17H2,1-2H3
InChIKeyUKTPBYIQXSLOMR-UHFFFAOYSA-N
XLogP3.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26136109
[5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45159755
[(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26227028
[(5R)-5-[(2,6-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26213807
[5-[(2,6-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45165062
[(5S)-5-[(2,5-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26219525
[5-[(2,5-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45162243
[(5S)-1-(2-methylpropyl)-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26223447
[5-[(3-fluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45163484
[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26139947
[(5S)-5-[(2,4-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26140500
[(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26234647

Frequently Asked Questions

What is the IUPAC name of [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 45161370) is [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CCC(NCCC1=CCCCC1)C2.
What is the InChIKey of [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is UKTPBYIQXSLOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-18(2)17-28-22-9-8-20(25-11-10-19-6-4-3-5-7-19)16-21(22)23(26-28)24(29)27-12-14-30-15-13-27/h6,18,20,25H,3-5,7-17H2,1-2H3.
What are the key properties of [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 414.59 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45161370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).