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

C20H19N7O — CID 10270685

IUPAC3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1[nH]nc2cc(N(C)c3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc12
InChIInChI=1S/C20H19N7O/c1-12-16-7-6-15(11-17(16)26-25-12)27(2)18-8-9-22-20(24-18)23-14-5-3-4-13(10-14)19(21)28/h3-11H,1-2H3,(H2,21,28)(H,25,26)(H,22,23,24)
InChIKeyGAPNLOYBMMGLKD-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.27
Rot. Bonds5

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

3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 10270685) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID10270685
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1[nH]nc2cc(N(C)c3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc12
InChIInChI=1S/C20H19N7O/c1-12-16-7-6-15(11-17(16)26-25-12)27(2)18-8-9-22-20(24-18)23-14-5-3-4-13(10-14)19(21)28/h3-11H,1-2H3,(H2,21,28)(H,25,26)(H,22,23,24)
InChIKeyGAPNLOYBMMGLKD-UHFFFAOYSA-N
XLogP3.27
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 10270685) is 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide is Cc1[nH]nc2cc(N(C)c3ccnc(Nc4cccc(C(N)=O)c4)n3)ccc12.
What is the InChIKey of 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is GAPNLOYBMMGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-12-16-7-6-15(11-17(16)26-25-12)27(2)18-8-9-22-20(24-18)23-14-5-3-4-13(10-14)19(21)28/h3-11H,1-2H3,(H2,21,28)(H,25,26)(H,22,23,24).
What are the key properties of 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide?
3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 373.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 10270685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).