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

C18H15N5O3 — CID 169330267

IUPAC4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1nc(-c2cccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)c2)[nH]c1C
InChIInChI=1S/C18H15N5O3/c1-8-9(2)21-16(20-8)10-4-3-5-11(6-10)23-13(24)7-12-14(15(23)19)18(26)22-17(12)25/h3-7H,19H2,1-2H3,(H,20,21)(H,22,25,26)
InChIKeyWRICSKQKDNLNEJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.31
Rot. Bonds2

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

4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169330267) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169330267
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1nc(-c2cccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)c2)[nH]c1C
InChIInChI=1S/C18H15N5O3/c1-8-9(2)21-16(20-8)10-4-3-5-11(6-10)23-13(24)7-12-14(15(23)19)18(26)22-17(12)25/h3-7H,19H2,1-2H3,(H,20,21)(H,22,25,26)
InChIKeyWRICSKQKDNLNEJ-UHFFFAOYSA-N
XLogP1.31
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(2,3-dimethylquinoxalin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330627
4-amino-5-[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330161
4-amino-5-[3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329021
4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327067
4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331428
4-amino-5-[3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330471
4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330271
2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]acetic acid
CID 169327201
2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]-2-methylpropanenitrile
CID 169329692
4-amino-5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329749
4-amino-5-[3-(4-phenylmethoxyphenyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330485

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169330267) is 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Cc1nc(-c2cccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)c2)[nH]c1C.
What is the InChIKey of 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is WRICSKQKDNLNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-8-9(2)21-16(20-8)10-4-3-5-11(6-10)23-13(24)7-12-14(15(23)19)18(26)22-17(12)25/h3-7H,19H2,1-2H3,(H,20,21)(H,22,25,26).
What are the key properties of 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 349.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169330267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).