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

C17H17N5O3 — CID 18447860

IUPAC(7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(-n3ccncc3=O)cc1)C2
InChIInChI=1S/C17H17N5O3/c18-15(24)17-6-1-8-22(17)16(25)21(11-17)13-4-2-12(3-5-13)20-9-7-19-10-14(20)23/h2-5,7,9-10H,1,6,8,11H2,(H2,18,24)/t17-/m1/s1
InChIKeyUNDWTBDCMLIUEF-QGZVFWFLSA-N
MW339.36 g/mol
LogP0.49
Rot. Bonds3

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

(7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447860) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447860
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name(7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(-n3ccncc3=O)cc1)C2
InChIInChI=1S/C17H17N5O3/c18-15(24)17-6-1-8-22(17)16(25)21(11-17)13-4-2-12(3-5-13)20-9-7-19-10-14(20)23/h2-5,7,9-10H,1,6,8,11H2,(H2,18,24)/t17-/m1/s1
InChIKeyUNDWTBDCMLIUEF-QGZVFWFLSA-N
XLogP0.49
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447860) is (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(-n3ccncc3=O)cc1)C2.
What is the InChIKey of (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is UNDWTBDCMLIUEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-15(24)17-6-1-8-22(17)16(25)21(11-17)13-4-2-12(3-5-13)20-9-7-19-10-14(20)23/h2-5,7,9-10H,1,6,8,11H2,(H2,18,24)/t17-/m1/s1.
What are the key properties of (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-oxo-2-[4-(2-oxopyrazin-1-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).