2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate

C20H20FN3O3 — CID 67384524

IUPAC2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCC(C)COC(=O)N1CCc2c1ccc(-c1coc3ccnc(N)c13)c2F
InChIInChI=1S/C20H20FN3O3/c1-11(2)9-27-20(25)24-8-6-13-15(24)4-3-12(18(13)21)14-10-26-16-5-7-23-19(22)17(14)16/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,22,23)
InChIKeyYWSXWUKEWKWIKU-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.37
Rot. Bonds3

About 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate

2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate (PubChem CID 67384524) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate
PubChem CID67384524
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCC(C)COC(=O)N1CCc2c1ccc(-c1coc3ccnc(N)c13)c2F
InChIInChI=1S/C20H20FN3O3/c1-11(2)9-27-20(25)24-8-6-13-15(24)4-3-12(18(13)21)14-10-26-16-5-7-23-19(22)17(14)16/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,22,23)
InChIKeyYWSXWUKEWKWIKU-UHFFFAOYSA-N
XLogP4.37
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-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

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate?
The IUPAC name of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate (CID 67384524) is 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate is CC(C)COC(=O)N1CCc2c1ccc(-c1coc3ccnc(N)c13)c2F.
What is the InChIKey of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate?
The InChIKey is YWSXWUKEWKWIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-11(2)9-27-20(25)24-8-6-13-15(24)4-3-12(18(13)21)14-10-26-16-5-7-23-19(22)17(14)16/h3-5,7,10-11H,6,8-9H2,1-2H3,(H2,22,23).
What are the key properties of 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate?
2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-(4-aminofuro[3,2-c]pyridin-3-yl)-4-fluoro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 67384524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).