ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate

C14H16ClN3O3 — CID 146187845

IUPACethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C14H16ClN3O3/c1-3-21-12(19)4-8(2)17-14(20)11-6-10(15)5-9-7-16-18-13(9)11/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyPFOQGVNDZIPWLW-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.29
Rot. Bonds5

About ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate

ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate (PubChem CID 146187845) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate
PubChem CID146187845
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Nameethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C14H16ClN3O3/c1-3-21-12(19)4-8(2)17-14(20)11-6-10(15)5-9-7-16-18-13(9)11/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyPFOQGVNDZIPWLW-UHFFFAOYSA-N
XLogP2.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
CID 119369476
ethyl 3-[(3-bromo-2-chlorobenzoyl)amino]butanoate
CID 122136457
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810
5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 129032601
N-(5-chloro-1H-indazol-7-yl)acetamide
CID 119088127
ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]butanoate
CID 133363360
6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
CID 76846414
ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate
CID 3839253
5-chloro-7-propan-2-yl-1H-indazole
CID 166818723
ethyl 3-[(3-amino-5-iodo-2-phenylbenzoyl)amino]butanoate
CID 22905331
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate?
The IUPAC name of ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate (CID 146187845) is ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate is CCOC(=O)CC(C)NC(=O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate?
The InChIKey is PFOQGVNDZIPWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-3-21-12(19)4-8(2)17-14(20)11-6-10(15)5-9-7-16-18-13(9)11/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate?
ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate has a molecular weight of 309.75 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-1H-indazole-7-carbonyl)amino]butanoate is sourced from PubChem (CID 146187845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).