5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione

C19H13N7O2 — CID 126962213

IUPAC5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)ccc21
InChIInChI=1S/C19H13N7O2/c27-17-11-5-4-10(8-12(11)18(28)25-17)22-19-20-7-6-16(24-19)23-14-2-1-3-15-13(14)9-21-26-15/h1-9H,(H,21,26)(H,25,27,28)(H2,20,22,23,24)
InChIKeyDYELFNAGOMVUGC-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.72
Rot. Bonds4

About 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione

5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione (PubChem CID 126962213) has the molecular formula C19H13N7O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione
PubChem CID126962213
Molecular FormulaC19H13N7O2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)ccc21
InChIInChI=1S/C19H13N7O2/c27-17-11-5-4-10(8-12(11)18(28)25-17)22-19-20-7-6-16(24-19)23-14-2-1-3-15-13(14)9-21-26-15/h1-9H,(H,21,26)(H,25,27,28)(H2,20,22,23,24)
InChIKeyDYELFNAGOMVUGC-UHFFFAOYSA-N
XLogP2.72
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione 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

2,2-difluoro-6-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126962194
acetaldehyde;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine;ethane
CID 143348206
4-N-(1H-indazol-4-yl)-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 126962220
4-N-(1H-indazol-4-yl)-2-N-[3-(2-methylpropylamino)sulfanylphenyl]pyrimidine-2,4-diamine
CID 143348184
3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N-propan-2-yloxybenzenesulfonamide
CID 126962219
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 52948082
4-chloro-N-(3,5-dimorpholin-4-ylphenyl)pyrimidin-2-amine;2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 159370538
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
S-[2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]thiohydroxylamine
CID 143015941
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
2-N-[3-(1H-indazol-4-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154278
2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 143348114

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione?
The IUPAC name of 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione (CID 126962213) is 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione.
What is the SMILES notation for 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione?
The canonical SMILES for 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione is O=C1NC(=O)c2cc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)ccc21.
What is the InChIKey of 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione?
The InChIKey is DYELFNAGOMVUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O2/c27-17-11-5-4-10(8-12(11)18(28)25-17)22-19-20-7-6-16(24-19)23-14-2-1-3-15-13(14)9-21-26-15/h1-9H,(H,21,26)(H,25,27,28)(H2,20,22,23,24).
What are the key properties of 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione?
5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione has a molecular weight of 371.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 126962213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).