[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane

C25H38F3N3O3 — CID 143046584

IUPAC[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane
SMILESCC(C)C.COC1COCCC1NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C21H28F3N3O3.C4H10/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;1-4(2)3/h8,10,13,16,18-19,26H,2-7,9,11-12H2,1H3;4H,1-3H3
InChIKeyREVFJNIXOZFZSY-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.21
Rot. Bonds4

About [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane

[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane (PubChem CID 143046584) has the molecular formula C25H38F3N3O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane.

Molecular Properties

Compound Name[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane
PubChem CID143046584
Molecular FormulaC25H38F3N3O3
Molecular Weight485.59 g/mol
Exact Mass485.29
IUPAC Name[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane
SMILESCC(C)C.COC1COCCC1NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C21H28F3N3O3.C4H10/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;1-4(2)3/h8,10,13,16,18-19,26H,2-7,9,11-12H2,1H3;4H,1-3H3
InChIKeyREVFJNIXOZFZSY-UHFFFAOYSA-N
XLogP4.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane with MolForge

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Related Compounds

[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 143046575
[3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 142976977
[(1R,3S)-3-[[(3R,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 118618886
[8-amino-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]methanone
CID 169158453
cyclobutane;[3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826435
3-methoxy-N-[3-[[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]cyclopentyl]oxan-4-amine
CID 130413445
[(3aS,5S,6aR)-5-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71768689
[(2R,3aS,5R,6aS)-2-hydroxy-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71517574
butanedioic acid;[(1R,3S)-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 154730960
[8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 123815540
[5-[(3-methoxyoxan-4-yl)amino]-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 86767124
[5-[(3-methoxyoxan-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 123978364

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane?
The IUPAC name of [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane (CID 143046584) is [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane.
What is the SMILES notation for [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane?
The canonical SMILES for [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane is CC(C)C.COC1COCCC1NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane?
The InChIKey is REVFJNIXOZFZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O3.C4H10/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;1-4(2)3/h8,10,13,16,18-19,26H,2-7,9,11-12H2,1H3;4H,1-3H3.
What are the key properties of [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane?
[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane has a molecular weight of 485.59 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane is sourced from PubChem (CID 143046584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).