[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane

C24H36F3N3O3 — CID 143046575

IUPAC[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
SMILESCCC.COC1COCC[C@@H]1NC1CC[C@H](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C21H28F3N3O3.C3H8/c1-29-19-12-30-7-5-18(19)26-16-3-2-13(9-16)20(28)27-6-4-17-14(11-27)8-15(10-25-17)21(22,23)24;1-3-2/h8,10,13,16,18-19,26H,2-7,9,11-12H2,1H3;3H2,1-2H3/t13-,16?,18-,19?;/m0./s1
InChIKeyUQPDKAXOSLZHIW-JVCJWEAASA-N
MW471.56 g/mol
LogP3.96
Rot. Bonds4

About [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane

[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane (PubChem CID 143046575) has the molecular formula C24H36F3N3O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane.

Molecular Properties

Compound Name[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
PubChem CID143046575
Molecular FormulaC24H36F3N3O3
Molecular Weight471.56 g/mol
Exact Mass471.27
IUPAC Name[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
SMILESCCC.COC1COCC[C@@H]1NC1CC[C@H](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C21H28F3N3O3.C3H8/c1-29-19-12-30-7-5-18(19)26-16-3-2-13(9-16)20(28)27-6-4-17-14(11-27)8-15(10-25-17)21(22,23)24;1-3-2/h8,10,13,16,18-19,26H,2-7,9,11-12H2,1H3;3H2,1-2H3/t13-,16?,18-,19?;/m0./s1
InChIKeyUQPDKAXOSLZHIW-JVCJWEAASA-N
XLogP3.96
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane with MolForge

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Related Compounds

MK-0812
CID 11180808
[(1S)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 59687824
((3aS,5S,6aR)-5-((3S,4S)-3-Methoxytetrahydro-2H-pyran-4-ylamino)hexahydro-2H-cyclopenta[b]furan-3a-yl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)methanone
CID 60148505
CID 71226374
CID 71226374
CID 71768688
CID 71768688
CID 71768689
CID 71768689
((3aS,5S,6aR)-5-((tetrahydro-2H-pyran-4-yl)amino)hexahydro-2H-cyclopenta[b]furan-3a-yl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)methanone
CID 71768721
CID 71768725
CID 71768725
CID 71768755
CID 71768755
CID 71768798
CID 71768798
CID 71768830
CID 71768830
CID 72945830
CID 72945830

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?
The IUPAC name of [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane (CID 143046575) is [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane.
What is the SMILES notation for [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?
The canonical SMILES for [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane is CCC.COC1COCC[C@@H]1NC1CC[C@H](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?
The InChIKey is UQPDKAXOSLZHIW-JVCJWEAASA-N. The full InChI is InChI=1S/C21H28F3N3O3.C3H8/c1-29-19-12-30-7-5-18(19)26-16-3-2-13(9-16)20(28)27-6-4-17-14(11-27)8-15(10-25-17)21(22,23)24;1-3-2/h8,10,13,16,18-19,26H,2-7,9,11-12H2,1H3;3H2,1-2H3/t13-,16?,18-,19?;/m0./s1.
What are the key properties of [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?
[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane has a molecular weight of 471.56 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane is sourced from PubChem (CID 143046575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).