ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate

C11H11ClN4O4 — CID 176899840

IUPACethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)Nc1n[nH]c2cc(Cl)ncc12
InChIInChI=1S/C11H11ClN4O4/c1-2-19-9(17)5-20-11(18)14-10-6-4-13-8(12)3-7(6)15-16-10/h3-4H,2,5H2,1H3,(H2,14,15,16,18)
InChIKeyOOKMXUFOYSHXKE-UHFFFAOYSA-N
MW298.69 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate

ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate (PubChem CID 176899840) has the molecular formula C11H11ClN4O4 and a molecular weight of 298.69 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate
PubChem CID176899840
Molecular FormulaC11H11ClN4O4
Molecular Weight298.69 g/mol
Exact Mass298.05
IUPAC Nameethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)Nc1n[nH]c2cc(Cl)ncc12
InChIInChI=1S/C11H11ClN4O4/c1-2-19-9(17)5-20-11(18)14-10-6-4-13-8(12)3-7(6)15-16-10/h3-4H,2,5H2,1H3,(H2,14,15,16,18)
InChIKeyOOKMXUFOYSHXKE-UHFFFAOYSA-N
XLogP1.72
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
N-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 144598761
ethyl 4-(6-chloro-4-methyl-3-pyridinyl)but-3-ynoate
CID 170470946
ethyl 3-(6-chloro-4-methoxy-3-pyridinyl)-3-oxopropanoate
CID 88921815
ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
CID 91288841
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106
2,2-difluoroethyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395281
ethyl 2-(6-chloro-4-cyano-3-pyridinyl)acetate
CID 133097864
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate
CID 25157287
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate?
The IUPAC name of ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate (CID 176899840) is ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate?
The canonical SMILES for ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate is CCOC(=O)COC(=O)Nc1n[nH]c2cc(Cl)ncc12.
What is the InChIKey of ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate?
The InChIKey is OOKMXUFOYSHXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O4/c1-2-19-9(17)5-20-11(18)14-10-6-4-13-8(12)3-7(6)15-16-10/h3-4H,2,5H2,1H3,(H2,14,15,16,18).
What are the key properties of ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate?
ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate has a molecular weight of 298.69 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbamoyloxy]acetate is sourced from PubChem (CID 176899840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).