(7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C17H22N4O3 — CID 18447853

IUPAC(7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C17H22N4O3/c18-15(22)17-6-1-7-21(17)16(23)20(12-17)14-4-2-13(3-5-14)19-8-10-24-11-9-19/h2-5H,1,6-12H2,(H2,18,22)/t17-/m1/s1
InChIKeyGZZSDAMFUVGOSA-QGZVFWFLSA-N
MW330.39 g/mol
LogP0.78
Rot. Bonds3

About (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447853) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447853
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C17H22N4O3/c18-15(22)17-6-1-7-21(17)16(23)20(12-17)14-4-2-13(3-5-14)19-8-10-24-11-9-19/h2-5H,1,6-12H2,(H2,18,22)/t17-/m1/s1
InChIKeyGZZSDAMFUVGOSA-QGZVFWFLSA-N
XLogP0.78
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-Phenylpiperazin-1-yl)propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10807257
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2622591
2-{4-[4-(4-aminophenyl)-1-piperazinyl]butyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10833050
(2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134795943
(2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 9297736
(7aS)-2-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 121563070
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-fluoro-4-morpholin-4-ylphenyl)butanamide
CID 56499578
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 56499709
(3aR,6aS)-5-ethyl-N-(4-fluorophenyl)-2-(2-methoxyethyl)-6-oxospiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1'-carboxamide
CID 125227616
N-(4-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-1,7-diazaspiro[4.5]decane-1-carboxamide
CID 162633146
N-(2,5-difluorophenyl)-7-(2-methoxyethyl)-6-oxo-1,7-diazaspiro[4.5]decane-1-carboxamide
CID 162633824
N-(4-fluorophenyl)-7-[2-(4-morpholinyl)ethyl]-6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 176501646

Frequently Asked Questions

What is the IUPAC name of (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447853) is (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3CCOCC3)cc1)C2.
What is the InChIKey of (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is GZZSDAMFUVGOSA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O3/c18-15(22)17-6-1-7-21(17)16(23)20(12-17)14-4-2-13(3-5-14)19-8-10-24-11-9-19/h2-5H,1,6-12H2,(H2,18,22)/t17-/m1/s1.
What are the key properties of (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-(4-morpholin-4-ylphenyl)-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).