3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide

C20H19N7O — CID 25138048

IUPAC3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc2c(cnn2C)c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C20H19N7O/c1-12-6-7-16-15(11-23-27(16)2)18(12)25-17-8-9-22-20(26-17)24-14-5-3-4-13(10-14)19(21)28/h3-11H,1-2H3,(H2,21,28)(H2,22,24,25,26)
InChIKeyZLWQZVBUIQXGBB-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.26
Rot. Bonds5

About 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide

3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 25138048) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID25138048
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc2c(cnn2C)c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C20H19N7O/c1-12-6-7-16-15(11-23-27(16)2)18(12)25-17-8-9-22-20(26-17)24-14-5-3-4-13(10-14)19(21)28/h3-11H,1-2H3,(H2,21,28)(H2,22,24,25,26)
InChIKeyZLWQZVBUIQXGBB-UHFFFAOYSA-N
XLogP3.26
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 25138048) is 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide is Cc1ccc2c(cnn2C)c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is ZLWQZVBUIQXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-12-6-7-16-15(11-23-27(16)2)18(12)25-17-8-9-22-20(26-17)24-14-5-3-4-13(10-14)19(21)28/h3-11H,1-2H3,(H2,21,28)(H2,22,24,25,26).
What are the key properties of 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 373.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1,5-dimethylindazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).