[(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C26H33F3N4O2 — CID 11352322

IUPAC[(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOc1ccc(C(C)N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)cn1
InChIInChI=1S/C26H33F3N4O2/c1-16(2)25(9-7-21(12-25)32-17(3)18-5-6-23(35-4)31-13-18)24(34)33-10-8-22-19(15-33)11-20(14-30-22)26(27,28)29/h5-6,11,13-14,16-17,21,32H,7-10,12,15H2,1-4H3/t17?,21-,25+/m1/s1
InChIKeyKPEQCRZUZBTCCK-XUSCLMRQSA-N
MW490.57 g/mol
LogP4.93
Rot. Bonds6

About [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 11352322) has the molecular formula C26H33F3N4O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID11352322
Molecular FormulaC26H33F3N4O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC Name[(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOc1ccc(C(C)N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)cn1
InChIInChI=1S/C26H33F3N4O2/c1-16(2)25(9-7-21(12-25)32-17(3)18-5-6-23(35-4)31-13-18)24(34)33-10-8-22-19(15-33)11-20(14-30-22)26(27,28)29/h5-6,11,13-14,16-17,21,32H,7-10,12,15H2,1-4H3/t17?,21-,25+/m1/s1
InChIKeyKPEQCRZUZBTCCK-XUSCLMRQSA-N
XLogP4.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 11352322) is [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is COc1ccc(C(C)N[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)cn1.
What is the InChIKey of [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is KPEQCRZUZBTCCK-XUSCLMRQSA-N. The full InChI is InChI=1S/C26H33F3N4O2/c1-16(2)25(9-7-21(12-25)32-17(3)18-5-6-23(35-4)31-13-18)24(34)33-10-8-22-19(15-33)11-20(14-30-22)26(27,28)29/h5-6,11,13-14,16-17,21,32H,7-10,12,15H2,1-4H3/t17?,21-,25+/m1/s1.
What are the key properties of [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 490.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[1-(6-methoxy-3-pyridinyl)ethylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 11352322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).