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

C28H33F2N3O2 — CID 11202474

IUPAC3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C28H33F2N3O2/c1-2-12-31-28(34)22-9-10-25(30)27-24(22)15-21(17-35-27)33(20-6-3-7-20)13-4-5-18-16-32-26-11-8-19(29)14-23(18)26/h8-11,14,16,20-21,32H,2-7,12-13,15,17H2,1H3,(H,31,34)
InChIKeyIVCXXYAPUGLPQO-UHFFFAOYSA-N
MW481.59 g/mol
LogP5.38
Rot. Bonds9

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

3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11202474) has the molecular formula C28H33F2N3O2 and a molecular weight of 481.59 g/mol. Its IUPAC name is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11202474
Molecular FormulaC28H33F2N3O2
Molecular Weight481.59 g/mol
Exact Mass481.25
IUPAC Name3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCNC(=O)c1ccc(F)c2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C28H33F2N3O2/c1-2-12-31-28(34)22-9-10-25(30)27-24(22)15-21(17-35-27)33(20-6-3-7-20)13-4-5-18-16-32-26-11-8-19(29)14-23(18)26/h8-11,14,16,20-21,32H,2-7,12-13,15,17H2,1H3,(H,31,34)
InChIKeyIVCXXYAPUGLPQO-UHFFFAOYSA-N
XLogP5.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide (CID 11202474) is 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide is CCCNC(=O)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]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is IVCXXYAPUGLPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O2/c1-2-12-31-28(34)22-9-10-25(30)27-24(22)15-21(17-35-27)33(20-6-3-7-20)13-4-5-18-16-32-26-11-8-19(29)14-23(18)26/h8-11,14,16,20-21,32H,2-7,12-13,15,17H2,1H3,(H,31,34).
What are the key properties of 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 5.38, 9 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]-8-fluoro-N-propyl-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11202474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).