3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide

C25H28FN3O2 — CID 25139058

IUPAC3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
InChIKeyOGWLBFFDIVAFSR-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.20
Rot. Bonds7

About 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide

3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 25139058) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID25139058
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
InChIKeyOGWLBFFDIVAFSR-UHFFFAOYSA-N
XLogP4.20
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide 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 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 25139058) is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2.
What is the InChIKey of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is OGWLBFFDIVAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30).
What are the key properties of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 25139058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).