ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate

C16H16N4O3 — CID 71869717

IUPACethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cn2ncc3ccccc32)c[nH]1
InChIInChI=1S/C16H16N4O3/c1-2-23-16(22)13-7-12(9-17-13)19-15(21)10-20-14-6-4-3-5-11(14)8-18-20/h3-9,17H,2,10H2,1H3,(H,19,21)
InChIKeyQEPWRZQEACAVJT-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.18
Rot. Bonds5

About ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate

ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate (PubChem CID 71869717) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
PubChem CID71869717
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Nameethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Cn2ncc3ccccc32)c[nH]1
InChIInChI=1S/C16H16N4O3/c1-2-23-16(22)13-7-12(9-17-13)19-15(21)10-20-14-6-4-3-5-11(14)8-18-20/h3-9,17H,2,10H2,1H3,(H,19,21)
InChIKeyQEPWRZQEACAVJT-UHFFFAOYSA-N
XLogP2.18
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
ethyl 4-(quinazolin-2-ylamino)-1H-pyrrole-2-carboxylate
CID 168990724
N-[4-(2-hydroxyethoxy)phenyl]-2-indazol-1-ylacetamide
CID 111116081
methyl (2R)-2-[(2-indazol-1-ylacetyl)amino]-3-methoxypropanoate
CID 97260617
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate (CID 71869717) is ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(NC(=O)Cn2ncc3ccccc32)c[nH]1.
What is the InChIKey of ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate?
The InChIKey is QEPWRZQEACAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-2-23-16(22)13-7-12(9-17-13)19-15(21)10-20-14-6-4-3-5-11(14)8-18-20/h3-9,17H,2,10H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate?
ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-indazol-1-ylacetyl)amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 71869717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).