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

C18H18N4O3 — CID 18447861

IUPAC(7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(-n3ccccc3=O)cc1)C2
InChIInChI=1S/C18H18N4O3/c19-16(24)18-9-3-11-22(18)17(25)21(12-18)14-7-5-13(6-8-14)20-10-2-1-4-15(20)23/h1-2,4-8,10H,3,9,11-12H2,(H2,19,24)/t18-/m1/s1
InChIKeyZDUOGYLPLOLODU-GOSISDBHSA-N
MW338.37 g/mol
LogP1.10
Rot. Bonds3

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

(7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447861) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447861
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(-n3ccccc3=O)cc1)C2
InChIInChI=1S/C18H18N4O3/c19-16(24)18-9-3-11-22(18)17(25)21(12-18)14-7-5-13(6-8-14)20-10-2-1-4-15(20)23/h1-2,4-8,10H,3,9,11-12H2,(H2,19,24)/t18-/m1/s1
InChIKeyZDUOGYLPLOLODU-GOSISDBHSA-N
XLogP1.10
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
CID 15945748
CID 15945748
2-{4-[4-(4-aminophenyl)-1-piperazinyl]butyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10833050
7a-methyl-2-(5-oxo-1-phenylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 121545988
(7aS)-7a-methyl-2-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 121550834
(7aS)-2-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 121563070
2-{4-[(E)-phenyldiazenyl]phenyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 46786325
(3aR,6aS)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 167927699
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 8307980
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8748947
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47045021
2-[4-[4-(4-Aminophenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;chloride;hydrate
CID 53347115

Frequently Asked Questions

What is the IUPAC name of (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447861) is (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(-n3ccccc3=O)cc1)C2.
What is the InChIKey of (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is ZDUOGYLPLOLODU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-16(24)18-9-3-11-22(18)17(25)21(12-18)14-7-5-13(6-8-14)20-10-2-1-4-15(20)23/h1-2,4-8,10H,3,9,11-12H2,(H2,19,24)/t18-/m1/s1.
What are the key properties of (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).