6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid

C17H15ClN2O3 — CID 129408540

IUPAC6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid
SMILESCO[C@@H](C)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c1-9(23-2)10-3-5-11(6-4-10)12-7-13-15(8-14(12)18)19-20-16(13)17(21)22/h3-9H,1-2H3,(H,19,20)(H,21,22)/t9-/m0/s1
InChIKeyICTZDPPAMKGTKY-VIFPVBQESA-N
MW330.77 g/mol
LogP4.29
Rot. Bonds4

About 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid

6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid (PubChem CID 129408540) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid
PubChem CID129408540
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid
SMILESCO[C@@H](C)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c1-9(23-2)10-3-5-11(6-4-10)12-7-13-15(8-14(12)18)19-20-16(13)17(21)22/h3-9H,1-2H3,(H,19,20)(H,21,22)/t9-/m0/s1
InChIKeyICTZDPPAMKGTKY-VIFPVBQESA-N
XLogP4.29
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine
CID 151842688
6-chloro-5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 86698689
6-(4-iodophenyl)-1H-indazole-3-carboxylic acid
CID 70882113
6-methylsulfonyl-1H-indazole-3-carboxylic acid
CID 170653132
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
CID 82124138
6-fluoro-5-[4-(oxan-4-yl)phenyl]-1H-indazole-3-carboxylic acid
CID 86698831
6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71765798
6-bromo-1H-indazole-3-carboxylic acid;methyl 6-bromo-1H-indazole-3-carboxylate;molecular hydrogen
CID 159296138
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
N-[4-[(6-chloro-5-phenyl-1H-indazol-3-yl)sulfamoyl]phenyl]acetamide
CID 10478461
1-[4-[2-(3-carboxy-4-methylphenoxy)-6-chloro-1H-benzimidazol-5-yl]phenyl]ethylazanium
CID 59267709

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid (CID 129408540) is 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid is CO[C@@H](C)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1.
What is the InChIKey of 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid?
The InChIKey is ICTZDPPAMKGTKY-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-9(23-2)10-3-5-11(6-4-10)12-7-13-15(8-14(12)18)19-20-16(13)17(21)22/h3-9H,1-2H3,(H,19,20)(H,21,22)/t9-/m0/s1.
What are the key properties of 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid?
6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid has a molecular weight of 330.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 129408540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).