4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H17N5O4 — CID 169329679

IUPAC4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc3cnn(C4CCCCO4)c13)C(=O)NC2=O
InChIInChI=1S/C19H17N5O4/c20-17-15-11(18(26)22-19(15)27)8-13(25)23(17)12-5-3-4-10-9-21-24(16(10)12)14-6-1-2-7-28-14/h3-5,8-9,14H,1-2,6-7,20H2,(H,22,26,27)
InChIKeyBQLRBUOKYCFQNX-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.35
Rot. Bonds2

About 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329679) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329679
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cccc3cnn(C4CCCCO4)c13)C(=O)NC2=O
InChIInChI=1S/C19H17N5O4/c20-17-15-11(18(26)22-19(15)27)8-13(25)23(17)12-5-3-4-10-9-21-24(16(10)12)14-6-1-2-7-28-14/h3-5,8-9,14H,1-2,6-7,20H2,(H,22,26,27)
InChIKeyBQLRBUOKYCFQNX-UHFFFAOYSA-N
XLogP1.35
TPSA121.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]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

7-nitro-1-[(2R)-oxan-2-yl]indazole
CID 97052367
4-amino-5-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330984
7-azido-1-(oxan-2-yl)indazole
CID 169325768
4-amino-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327920
2-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N,N-dicyclohexylbenzenesulfonamide
CID 169330130
4-amino-5-(2-phenylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327164
1-[(2S)-oxan-2-yl]indazole
CID 124562379
4-amino-5-(2-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327689
4-amino-5-(2-tert-butylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326916
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169328413
N-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylphenyl]acetamide
CID 169328798

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329679) is 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1cccc3cnn(C4CCCCO4)c13)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is BQLRBUOKYCFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c20-17-15-11(18(26)22-19(15)27)8-13(25)23(17)12-5-3-4-10-9-21-24(16(10)12)14-6-1-2-7-28-14/h3-5,8-9,14H,1-2,6-7,20H2,(H,22,26,27).
What are the key properties of 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 379.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[1-(oxan-2-yl)indazol-7-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).