[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C25H36F3N3O2 — CID 10254027

IUPAC[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C25H36F3N3O2/c1-16(2)24(8-5-20(12-24)30(4)22-7-10-33-15-17(22)3)23(32)31-9-6-21-18(14-31)11-19(13-29-21)25(26,27)28/h11,13,16-17,20,22H,5-10,12,14-15H2,1-4H3/t17?,20-,22?,24+/m1/s1
InChIKeyHNTGZABNCRQZTQ-GEHWKXELSA-N
MW467.58 g/mol
LogP4.54
Rot. Bonds4

About [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 10254027) has the molecular formula C25H36F3N3O2 and a molecular weight of 467.58 g/mol. Its IUPAC name is [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID10254027
Molecular FormulaC25H36F3N3O2
Molecular Weight467.58 g/mol
Exact Mass467.28
IUPAC Name[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C25H36F3N3O2/c1-16(2)24(8-5-20(12-24)30(4)22-7-10-33-15-17(22)3)23(32)31-9-6-21-18(14-31)11-19(13-29-21)25(26,27)28/h11,13,16-17,20,22H,5-10,12,14-15H2,1-4H3/t17?,20-,22?,24+/m1/s1
InChIKeyHNTGZABNCRQZTQ-GEHWKXELSA-N
XLogP4.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-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-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 10254027) is [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-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-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is HNTGZABNCRQZTQ-GEHWKXELSA-N. The full InChI is InChI=1S/C25H36F3N3O2/c1-16(2)24(8-5-20(12-24)30(4)22-7-10-33-15-17(22)3)23(32)31-9-6-21-18(14-31)11-19(13-29-21)25(26,27)28/h11,13,16-17,20,22H,5-10,12,14-15H2,1-4H3/t17?,20-,22?,24+/m1/s1.
What are the key properties of [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 467.58 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 10254027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).