3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide

C19H17N7O — CID 25138045

IUPAC3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c2cn[nH]c2c1
InChIInChI=1S/C19H17N7O/c1-11-7-15(14-10-22-26-16(14)8-11)24-17-5-6-21-19(25-17)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
InChIKeyCBSBCEBWZIDXNQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.25
Rot. Bonds5

About 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide

3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 25138045) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID25138045
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c2cn[nH]c2c1
InChIInChI=1S/C19H17N7O/c1-11-7-15(14-10-22-26-16(14)8-11)24-17-5-6-21-19(25-17)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
InChIKeyCBSBCEBWZIDXNQ-UHFFFAOYSA-N
XLogP3.25
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide 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 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 25138045) is 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide is Cc1cc(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c2cn[nH]c2c1.
What is the InChIKey of 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is CBSBCEBWZIDXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-11-7-15(14-10-22-26-16(14)8-11)24-17-5-6-21-19(25-17)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25).
What are the key properties of 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).