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

C20H19ClN4O2 — CID 91826286

IUPAC1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
SMILESCC(C)Cn1ncc2cc(Cl)cc(Cn3ncc4cc(C(=O)O)ccc43)c21
InChIInChI=1S/C20H19ClN4O2/c1-12(2)10-25-19-15(9-23-25)6-17(21)7-16(19)11-24-18-4-3-13(20(26)27)5-14(18)8-22-24/h3-9,12H,10-11H2,1-2H3,(H,26,27)
InChIKeySNWOOHMGFFYMSF-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.44
Rot. Bonds5

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

1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid (PubChem CID 91826286) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
PubChem CID91826286
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
SMILESCC(C)Cn1ncc2cc(Cl)cc(Cn3ncc4cc(C(=O)O)ccc43)c21
InChIInChI=1S/C20H19ClN4O2/c1-12(2)10-25-19-15(9-23-25)6-17(21)7-16(19)11-24-18-4-3-13(20(26)27)5-14(18)8-22-24/h3-9,12H,10-11H2,1-2H3,(H,26,27)
InChIKeySNWOOHMGFFYMSF-UHFFFAOYSA-N
XLogP4.44
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid (CID 91826286) is 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid is CC(C)Cn1ncc2cc(Cl)cc(Cn3ncc4cc(C(=O)O)ccc43)c21.
What is the InChIKey of 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
The InChIKey is SNWOOHMGFFYMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12(2)10-25-19-15(9-23-25)6-17(21)7-16(19)11-24-18-4-3-13(20(26)27)5-14(18)8-22-24/h3-9,12H,10-11H2,1-2H3,(H,26,27).
What are the key properties of 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid has a molecular weight of 382.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid is sourced from PubChem (CID 91826286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).