N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide

C22H24N4O4 — CID 69051102

IUPACN-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC(CC1CC1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O4/c27-18-12-30-19-7-9-26(20(18)19)22(29)17(11-14-1-2-14)24-21(28)15-3-5-16(6-4-15)25-10-8-23-13-25/h3-6,8,10,13-14,17,19-20H,1-2,7,9,11-12H2,(H,24,28)
InChIKeyVDYKQEOKLGEKSP-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.34
Rot. Bonds6

About N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide

N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide (PubChem CID 69051102) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide
PubChem CID69051102
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC(CC1CC1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O4/c27-18-12-30-19-7-9-26(20(18)19)22(29)17(11-14-1-2-14)24-21(28)15-3-5-16(6-4-15)25-10-8-23-13-25/h3-6,8,10,13-14,17,19-20H,1-2,7,9,11-12H2,(H,24,28)
InChIKeyVDYKQEOKLGEKSP-UHFFFAOYSA-N
XLogP1.34
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide
CID 91262379
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 142154220
N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-3-phenylpyrrole-1-carboxamide
CID 90967789
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 24759822
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-bromobenzamide;methane;sulfane
CID 159738345
4-methoxy-N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]benzamide
CID 69373523
N-[(2S)-3-cyclohexyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]thiophene-3-carboxamide
CID 91597441
4-(dimethylamino)-N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]benzamide
CID 69048928
4-(dimethylamino)-N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-thiophen-2-ylpropan-2-yl]benzamide
CID 69375247
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(1-propylpiperidin-4-yl)benzamide
CID 68682366
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-4-(thiadiazol-4-yl)benzamide
CID 69051055
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-pyridin-4-ylpropan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 91227577

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide (CID 69051102) is N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide is O=C(NC(CC1CC1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide?
The InChIKey is VDYKQEOKLGEKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-18-12-30-19-7-9-26(20(18)19)22(29)17(11-14-1-2-14)24-21(28)15-3-5-16(6-4-15)25-10-8-23-13-25/h3-6,8,10,13-14,17,19-20H,1-2,7,9,11-12H2,(H,24,28).
What are the key properties of N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide?
N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide has a molecular weight of 408.46 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 69051102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).