tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate

C21H21FN2O3 — CID 142704845

IUPACtert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C(=O)CCc2ccc(F)cc2)c2ccncc21
InChIInChI=1S/C21H21FN2O3/c1-21(2,3)27-20(26)24-13-17(16-10-11-23-12-18(16)24)19(25)9-6-14-4-7-15(22)8-5-14/h4-5,7-8,10-13H,6,9H2,1-3H3
InChIKeyFIFVJSQCJIBBQT-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.77
Rot. Bonds4

About tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate (PubChem CID 142704845) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate
PubChem CID142704845
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Nametert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C(=O)CCc2ccc(F)cc2)c2ccncc21
InChIInChI=1S/C21H21FN2O3/c1-21(2,3)27-20(26)24-13-17(16-10-11-23-12-18(16)24)19(25)9-6-14-4-7-15(22)8-5-14/h4-5,7-8,10-13H,6,9H2,1-3H3
InChIKeyFIFVJSQCJIBBQT-UHFFFAOYSA-N
XLogP4.77
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-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

tert-butyl 5-methoxy-3-(2-pyridin-3-ylacetyl)indole-1-carboxylate
CID 67513901
tert-butyl 6-fluoro-3-[methoxy(methyl)carbamoyl]indole-1-carboxylate
CID 155213730
tert-butyl 6-fluoro-3-methylindole-1-carboxylate
CID 45103063
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate
CID 11326301
tert-butyl 5-(3-pyridin-4-ylpropanoyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 126817264
tert-butyl 3-(2-cyanopropan-2-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 130346028
tert-butyl 3-bromo-5-[4-(4-methoxyphenyl)-2-oxobutyl]pyrrolo[2,3-c]pyridine-1-carboxylate
CID 159571876
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
tert-butyl 3-(1-hydroxy-1-phenylethyl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 101385624
tert-butyl 4-[4-(4-fluorophenyl)butanoyl]piperazine-1-carboxylate
CID 110312062
5-fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-5-yl]pyrrolo[2,3-c]pyridin-1-yl]benzoic acid
CID 134347836
tert-butyl 3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxylate
CID 67806966

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate (CID 142704845) is tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate is CC(C)(C)OC(=O)n1cc(C(=O)CCc2ccc(F)cc2)c2ccncc21.
What is the InChIKey of tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate?
The InChIKey is FIFVJSQCJIBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-21(2,3)27-20(26)24-13-17(16-10-11-23-12-18(16)24)19(25)9-6-14-4-7-15(22)8-5-14/h4-5,7-8,10-13H,6,9H2,1-3H3.
What are the key properties of tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate?
tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(4-fluorophenyl)propanoyl]pyrrolo[2,3-c]pyridine-1-carboxylate is sourced from PubChem (CID 142704845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).