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

C27H31F2N3O2 — CID 69439152

IUPAC3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCNC(=O)c1ccc(F)c2c1CC(NC(CCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C27H31F2N3O2/c1-2-30-27(33)20-8-9-23(29)26-22(20)13-19(15-34-26)32-24(16-4-3-5-16)10-6-17-14-31-25-11-7-18(28)12-21(17)25/h7-9,11-12,14,16,19,24,31-32H,2-6,10,13,15H2,1H3,(H,30,33)
InChIKeyZUISBYGVVXWYJV-UHFFFAOYSA-N
MW467.56 g/mol
LogP4.89
Rot. Bonds8

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

3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 69439152) has the molecular formula C27H31F2N3O2 and a molecular weight of 467.56 g/mol. Its IUPAC name is 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID69439152
Molecular FormulaC27H31F2N3O2
Molecular Weight467.56 g/mol
Exact Mass467.24
IUPAC Name3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCNC(=O)c1ccc(F)c2c1CC(NC(CCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
InChIInChI=1S/C27H31F2N3O2/c1-2-30-27(33)20-8-9-23(29)26-22(20)13-19(15-34-26)32-24(16-4-3-5-16)10-6-17-14-31-25-11-7-18(28)12-21(17)25/h7-9,11-12,14,16,19,24,31-32H,2-6,10,13,15H2,1H3,(H,30,33)
InChIKeyZUISBYGVVXWYJV-UHFFFAOYSA-N
XLogP4.89
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11248961
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25140792
3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-cyclopentyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11466308
(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-propylamino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 25139365
3-[[1-cyclobutyl-3-(5,7-difluoro-1H-indol-3-yl)propyl]amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-5-carboxamide
CID 69441309
8-fluoro-3-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]-3,4-dihydro-2H-chromene-5-carboxamide
CID 91261317
8-fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 25138737
(3S)-8-chloro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139653
3-[cyclopropylmethyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 11845817
N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide
CID 90998293
3-[cyclobutyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-(fluoromethyl)-3,4-dihydro-2H-chromene-5-carboxamide
CID 91512759
N-[6-(5-fluoro-1H-indol-3-yl)hexan-3-yl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 69439070

Frequently Asked Questions

What is the IUPAC name of 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 69439152) is 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is CCNC(=O)c1ccc(F)c2c1CC(NC(CCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2.
What is the InChIKey of 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is ZUISBYGVVXWYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O2/c1-2-30-27(33)20-8-9-23(29)26-22(20)13-19(15-34-26)32-24(16-4-3-5-16)10-6-17-14-31-25-11-7-18(28)12-21(17)25/h7-9,11-12,14,16,19,24,31-32H,2-6,10,13,15H2,1H3,(H,30,33).
What are the key properties of 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 467.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-cyclobutyl-3-(5-fluoro-1H-indol-3-yl)propyl]amino]-N-ethyl-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 69439152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).