methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate

C18H16ClN3O4 — CID 162659487

IUPACmethyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate
SMILESCOC(=O)CCn1ncc2c(NC(=O)c3cc(Cl)ccc3O)cccc21
InChIInChI=1S/C18H16ClN3O4/c1-26-17(24)7-8-22-15-4-2-3-14(13(15)10-20-22)21-18(25)12-9-11(19)5-6-16(12)23/h2-6,9-10,23H,7-8H2,1H3,(H,21,25)
InChIKeyBJCWGNRPYICDBR-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.21
Rot. Bonds5

About methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate

methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate (PubChem CID 162659487) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate
PubChem CID162659487
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Namemethyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate
SMILESCOC(=O)CCn1ncc2c(NC(=O)c3cc(Cl)ccc3O)cccc21
InChIInChI=1S/C18H16ClN3O4/c1-26-17(24)7-8-22-15-4-2-3-14(13(15)10-20-22)21-18(25)12-9-11(19)5-6-16(12)23/h2-6,9-10,23H,7-8H2,1H3,(H,21,25)
InChIKeyBJCWGNRPYICDBR-UHFFFAOYSA-N
XLogP3.21
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate (CID 162659487) is methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate is COC(=O)CCn1ncc2c(NC(=O)c3cc(Cl)ccc3O)cccc21.
What is the InChIKey of methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate?
The InChIKey is BJCWGNRPYICDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-26-17(24)7-8-22-15-4-2-3-14(13(15)10-20-22)21-18(25)12-9-11(19)5-6-16(12)23/h2-6,9-10,23H,7-8H2,1H3,(H,21,25).
What are the key properties of methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate?
methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate has a molecular weight of 373.80 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(5-chloro-2-hydroxybenzoyl)amino]indazol-1-yl]propanoate is sourced from PubChem (CID 162659487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).