4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C21H13N5O3S — CID 169330271

IUPAC4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc(-c3nc(-c4cccnc4)cs3)c1)C(=O)NC2=O
InChIInChI=1S/C21H13N5O3S/c22-18-17-14(19(28)25-20(17)29)8-16(27)26(18)13-5-1-3-11(7-13)21-24-15(10-30-21)12-4-2-6-23-9-12/h1-10H,22H2,(H,25,28,29)
InChIKeyTUTIHQVZZLLVBK-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.49
Rot. Bonds3

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

4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169330271) has the molecular formula C21H13N5O3S and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169330271
Molecular FormulaC21H13N5O3S
Molecular Weight415.43 g/mol
Exact Mass415.07
IUPAC Name4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc(-c3nc(-c4cccnc4)cs3)c1)C(=O)NC2=O
InChIInChI=1S/C21H13N5O3S/c22-18-17-14(19(28)25-20(17)29)8-16(27)26(18)13-5-1-3-11(7-13)21-24-15(10-30-21)12-4-2-6-23-9-12/h1-10H,22H2,(H,25,28,29)
InChIKeyTUTIHQVZZLLVBK-UHFFFAOYSA-N
XLogP2.49
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330471
4-amino-5-[3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329021
2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518992
4-amino-5-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326877
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-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181
4-amino-5-[3-(4-phenylmethoxyphenyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330485
4-amino-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327920
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
4-amino-5-[4-(3-methylimidazol-4-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331027

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 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) is 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1cccc(-c3nc(-c4cccnc4)cs3)c1)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is TUTIHQVZZLLVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O3S/c22-18-17-14(19(28)25-20(17)29)8-16(27)26(18)13-5-1-3-11(7-13)21-24-15(10-30-21)12-4-2-6-23-9-12/h1-10H,22H2,(H,25,28,29).
What are the key properties of 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 415.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169330271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).