5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid

C19H13ClN4O2 — CID 166161853

IUPAC5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)nc3)c12
InChIInChI=1S/C19H13ClN4O2/c20-15-6-14-10-23-24(17(14)16(7-15)19(25)26)11-12-8-21-18(22-9-12)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)
InChIKeyWYZVCAAXKJXYIS-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.89
Rot. Bonds4

About 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid

5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid (PubChem CID 166161853) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid
PubChem CID166161853
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)nc3)c12
InChIInChI=1S/C19H13ClN4O2/c20-15-6-14-10-23-24(17(14)16(7-15)19(25)26)11-12-8-21-18(22-9-12)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)
InChIKeyWYZVCAAXKJXYIS-UHFFFAOYSA-N
XLogP3.89
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid?
The IUPAC name of 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid (CID 166161853) is 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid is O=C(O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)nc3)c12.
What is the InChIKey of 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid?
The InChIKey is WYZVCAAXKJXYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-15-6-14-10-23-24(17(14)16(7-15)19(25)26)11-12-8-21-18(22-9-12)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26).
What are the key properties of 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid?
5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid has a molecular weight of 364.79 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid is sourced from PubChem (CID 166161853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).