2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione

C26H21N7O3 — CID 170673248

IUPAC2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3C(=O)c4cccc(O)c4C3=O)cccc12
InChIInChI=1S/C26H21N7O3/c1-13-11-28-26(29-20-10-14(2)32(3)31-20)30-22(13)17-12-27-23-15(17)6-4-8-18(23)33-24(35)16-7-5-9-19(34)21(16)25(33)36/h4-12,27,34H,1-3H3,(H,28,29,30,31)
InChIKeyNBRABIURZKMYQA-UHFFFAOYSA-N
MW479.50 g/mol
LogP4.23
Rot. Bonds4

About 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione

2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione (PubChem CID 170673248) has the molecular formula C26H21N7O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione
PubChem CID170673248
Molecular FormulaC26H21N7O3
Molecular Weight479.50 g/mol
Exact Mass479.17
IUPAC Name2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3C(=O)c4cccc(O)c4C3=O)cccc12
InChIInChI=1S/C26H21N7O3/c1-13-11-28-26(29-20-10-14(2)32(3)31-20)30-22(13)17-12-27-23-15(17)6-4-8-18(23)33-24(35)16-7-5-9-19(34)21(16)25(33)36/h4-12,27,34H,1-3H3,(H,28,29,30,31)
InChIKeyNBRABIURZKMYQA-UHFFFAOYSA-N
XLogP4.23
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione?
The IUPAC name of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione (CID 170673248) is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione?
The canonical SMILES for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3C(=O)c4cccc(O)c4C3=O)cccc12.
What is the InChIKey of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione?
The InChIKey is NBRABIURZKMYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O3/c1-13-11-28-26(29-20-10-14(2)32(3)31-20)30-22(13)17-12-27-23-15(17)6-4-8-18(23)33-24(35)16-7-5-9-19(34)21(16)25(33)36/h4-12,27,34H,1-3H3,(H,28,29,30,31).
What are the key properties of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione?
2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione has a molecular weight of 479.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 170673248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).