3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

C28H31F2N3O2 — CID 11260140

IUPAC3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESO=C(NC1CC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C28H31F2N3O2/c29-18-6-11-26-23(13-18)17(15-31-26)3-2-12-33(20-4-1-5-20)21-14-24-22(28(34)32-19-7-8-19)9-10-25(30)27(24)35-16-21/h6,9-11,13,15,19-21,31H,1-5,7-8,12,14,16H2,(H,32,34)
InChIKeyKFSYSSDWPKWGAJ-UHFFFAOYSA-N
MW479.57 g/mol
LogP5.13
Rot. Bonds8

About 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11260140) has the molecular formula C28H31F2N3O2 and a molecular weight of 479.57 g/mol. Its IUPAC name is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11260140
Molecular FormulaC28H31F2N3O2
Molecular Weight479.57 g/mol
Exact Mass479.24
IUPAC Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESO=C(NC1CC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C28H31F2N3O2/c29-18-6-11-26-23(13-18)17(15-31-26)3-2-12-33(20-4-1-5-20)21-14-24-22(28(34)32-19-7-8-19)9-10-25(30)27(24)35-16-21/h6,9-11,13,15,19-21,31H,1-5,7-8,12,14,16H2,(H,32,34)
InChIKeyKFSYSSDWPKWGAJ-UHFFFAOYSA-N
XLogP5.13
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-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]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 11260140) is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is O=C(NC1CC1)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2.
What is the InChIKey of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is KFSYSSDWPKWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N3O2/c29-18-6-11-26-23(13-18)17(15-31-26)3-2-12-33(20-4-1-5-20)21-14-24-22(28(34)32-19-7-8-19)9-10-25(30)27(24)35-16-21/h6,9-11,13,15,19-21,31H,1-5,7-8,12,14,16H2,(H,32,34).
What are the key properties of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 5.13, 8 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]-N-cyclopropyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11260140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).