N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C18H26N4O2 — CID 85133638

IUPACN-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1NNC2CCCCC21
InChIInChI=1S/C18H26N4O2/c23-18(17-15-3-1-2-4-16(15)20-21-17)19-13-5-7-14(8-6-13)22-9-11-24-12-10-22/h5-8,15-17,20-21H,1-4,9-12H2,(H,19,23)
InChIKeyAUHCQXGVLHEPCY-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.50
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 85133638) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID85133638
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1NNC2CCCCC21
InChIInChI=1S/C18H26N4O2/c23-18(17-15-3-1-2-4-16(15)20-21-17)19-13-5-7-14(8-6-13)22-9-11-24-12-10-22/h5-8,15-17,20-21H,1-4,9-12H2,(H,19,23)
InChIKeyAUHCQXGVLHEPCY-UHFFFAOYSA-N
XLogP1.50
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27516821
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(4-morpholin-4-ylphenyl)-6-oxodiazinane-3-carboxamide
CID 73251784
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 85133638) is N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1NNC2CCCCC21.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is AUHCQXGVLHEPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-18(17-15-3-1-2-4-16(15)20-21-17)19-13-5-7-14(8-6-13)22-9-11-24-12-10-22/h5-8,15-17,20-21H,1-4,9-12H2,(H,19,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 85133638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).