2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide

C15H14ClN7O — CID 25122366

IUPAC2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide
SMILESCc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)n[nH]1
InChIInChI=1S/C15H14ClN7O/c1-8-6-12(23-22-8)20-15-18-7-10(16)14(21-15)19-11-5-3-2-4-9(11)13(17)24/h2-7H,1H3,(H2,17,24)(H3,18,19,20,21,22,23)
InChIKeyZDLDYIJALYZMCW-UHFFFAOYSA-N
MW343.78 g/mol
LogP2.75
Rot. Bonds5

About 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide

2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide (PubChem CID 25122366) has the molecular formula C15H14ClN7O and a molecular weight of 343.78 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide
PubChem CID25122366
Molecular FormulaC15H14ClN7O
Molecular Weight343.78 g/mol
Exact Mass343.09
IUPAC Name2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide
SMILESCc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)n[nH]1
InChIInChI=1S/C15H14ClN7O/c1-8-6-12(23-22-8)20-15-18-7-10(16)14(21-15)19-11-5-3-2-4-9(11)13(17)24/h2-7H,1H3,(H2,17,24)(H3,18,19,20,21,22,23)
InChIKeyZDLDYIJALYZMCW-UHFFFAOYSA-N
XLogP2.75
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide?
The IUPAC name of 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide (CID 25122366) is 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide is Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)n[nH]1.
What is the InChIKey of 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide?
The InChIKey is ZDLDYIJALYZMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O/c1-8-6-12(23-22-8)20-15-18-7-10(16)14(21-15)19-11-5-3-2-4-9(11)13(17)24/h2-7H,1H3,(H2,17,24)(H3,18,19,20,21,22,23).
What are the key properties of 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide?
2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide has a molecular weight of 343.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 25122366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).