ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate

C13H11FN4O2 — CID 141187653

IUPACethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(F)c3cc[nH]c23)n[nH]1
InChIInChI=1S/C13H11FN4O2/c1-2-20-13(19)10-5-9(17-18-10)12-11-7(3-4-15-11)8(14)6-16-12/h3-6,15H,2H2,1H3,(H,17,18)
InChIKeyRHIXOTNBTPNVPW-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.27
Rot. Bonds3

About ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate

ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate (PubChem CID 141187653) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate
PubChem CID141187653
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Nameethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(F)c3cc[nH]c23)n[nH]1
InChIInChI=1S/C13H11FN4O2/c1-2-20-13(19)10-5-9(17-18-10)12-11-7(3-4-15-11)8(14)6-16-12/h3-6,15H,2H2,1H3,(H,17,18)
InChIKeyRHIXOTNBTPNVPW-UHFFFAOYSA-N
XLogP2.27
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate 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 Beta-Carboline-3-Carboxylate
CID 105078
Propyl beta-carboline-3-carboxylate
CID 123662
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 1265037
ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 15958783
2-fluoroethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957533
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
Ethyl 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 612416
methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate
CID 71489159
methyl 3-(1-butylindol-3-yl)-1H-pyrazole-5-carboxylate
CID 145975721
Methyl 1-(1H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 102040879
ethyl 2-(1H-pyrazol-5-yl)pyridine-4-carboxylate
CID 156770110
ethyl 5-amino-9H-pyrido[3,4-b]indole-3-carboxylate
CID 365583

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate (CID 141187653) is ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ncc(F)c3cc[nH]c23)n[nH]1.
What is the InChIKey of ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is RHIXOTNBTPNVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-2-20-13(19)10-5-9(17-18-10)12-11-7(3-4-15-11)8(14)6-16-12/h3-6,15H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate?
ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 274.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 141187653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).