(7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C19H22N4O3 — CID 18447865

IUPAC(7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3C(=O)C4CCC3C4)cc1)C2
InChIInChI=1S/C19H22N4O3/c20-17(25)19-8-1-9-22(19)18(26)21(11-19)13-4-6-14(7-5-13)23-15-3-2-12(10-15)16(23)24/h4-7,12,15H,1-3,8-11H2,(H2,20,25)/t12?,15?,19-/m1/s1
InChIKeyMJKUADZGPNIMIA-UZABCXPZSA-N
MW354.41 g/mol
LogP1.46
Rot. Bonds3

About (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447865) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447865
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3C(=O)C4CCC3C4)cc1)C2
InChIInChI=1S/C19H22N4O3/c20-17(25)19-8-1-9-22(19)18(26)21(11-19)13-4-6-14(7-5-13)23-15-3-2-12(10-15)16(23)24/h4-7,12,15H,1-3,8-11H2,(H2,20,25)/t12?,15?,19-/m1/s1
InChIKeyMJKUADZGPNIMIA-UZABCXPZSA-N
XLogP1.46
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447865) is (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3C(=O)C4CCC3C4)cc1)C2.
What is the InChIKey of (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is MJKUADZGPNIMIA-UZABCXPZSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-17(25)19-8-1-9-22(19)18(26)21(11-19)13-4-6-14(7-5-13)23-15-3-2-12(10-15)16(23)24/h4-7,12,15H,1-3,8-11H2,(H2,20,25)/t12?,15?,19-/m1/s1.
What are the key properties of (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-oxo-2-[4-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).