4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H15N5O3 — CID 169329977

IUPAC4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccc(-c3cnc4n3CCC4)cc1)C(=O)NC2=O
InChIInChI=1S/C19H15N5O3/c20-17-16-12(18(26)22-19(16)27)8-15(25)24(17)11-5-3-10(4-6-11)13-9-21-14-2-1-7-23(13)14/h3-6,8-9H,1-2,7,20H2,(H,22,26,27)
InChIKeyNRRGWYRYAFBJKO-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.11
Rot. Bonds2

About 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329977) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329977
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccc(-c3cnc4n3CCC4)cc1)C(=O)NC2=O
InChIInChI=1S/C19H15N5O3/c20-17-16-12(18(26)22-19(16)27)8-15(25)24(17)11-5-3-10(4-6-11)13-9-21-14-2-1-7-23(13)14/h3-6,8-9H,1-2,7,20H2,(H,22,26,27)
InChIKeyNRRGWYRYAFBJKO-UHFFFAOYSA-N
XLogP1.11
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-[4-(3-methylimidazol-4-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331027
4-amino-5-[4-(2-methylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327270
4-amino-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327839
4-amino-5-(3-fluoroquinolin-7-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329246
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 169326806
4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181
4-amino-5-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329456
6-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)naphthalene-2-sulfonic acid
CID 169331497
4-amino-5-(3-fluoro-4-piperidin-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329516
[5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylphenyl]boronic acid
CID 169330068
4-amino-5-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328057
4-amino-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330755

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329977) is 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1ccc(-c3cnc4n3CCC4)cc1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is NRRGWYRYAFBJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c20-17-16-12(18(26)22-19(16)27)8-15(25)24(17)11-5-3-10(4-6-11)13-9-21-14-2-1-7-23(13)14/h3-6,8-9H,1-2,7,20H2,(H,22,26,27).
What are the key properties of 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 361.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).