methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate

C15H13N3O4 — CID 119052110

IUPACmethyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H13N3O4/c1-21-14(19)7-13-11(4-5-22-13)15(20)17-10-2-3-12-9(6-10)8-16-18-12/h2-6,8H,7H2,1H3,(H,16,18)(H,17,20)
InChIKeyVYWRYCKJVKDJDN-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate

methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate (PubChem CID 119052110) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate
PubChem CID119052110
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Namemethyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H13N3O4/c1-21-14(19)7-13-11(4-5-22-13)15(20)17-10-2-3-12-9(6-10)8-16-18-12/h2-6,8H,7H2,1H3,(H,16,18)(H,17,20)
InChIKeyVYWRYCKJVKDJDN-UHFFFAOYSA-N
XLogP2.12
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-5-yl)-2-methylfuran-3-carboxamide
CID 17148684
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
CID 79771081
5-ethyl-N-(1H-indazol-5-yl)thiophene-3-carboxamide
CID 6467092
2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527200
5-bromo-N-(1H-indazol-5-yl)-2-methylbenzamide
CID 65311684
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate
CID 100754022
N-(1H-indazol-5-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112527219
N-(1H-indazol-5-yl)-2-phenoxybenzamide
CID 117073693
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate?
The IUPAC name of methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate (CID 119052110) is methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate?
The canonical SMILES for methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate is COC(=O)Cc1occc1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate?
The InChIKey is VYWRYCKJVKDJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-21-14(19)7-13-11(4-5-22-13)15(20)17-10-2-3-12-9(6-10)8-16-18-12/h2-6,8H,7H2,1H3,(H,16,18)(H,17,20).
What are the key properties of methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate?
methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate has a molecular weight of 299.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate is sourced from PubChem (CID 119052110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).