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

C24H34F3N3O2 — CID 10095435

IUPAC[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N(C)C2CCOCC2)C1
InChIInChI=1S/C24H34F3N3O2/c1-16(2)23(8-4-20(13-23)29(3)19-6-10-32-11-7-19)22(31)30-9-5-21-17(15-30)12-18(14-28-21)24(25,26)27/h12,14,16,19-20H,4-11,13,15H2,1-3H3/t20-,23+/m1/s1
InChIKeyLCONANBKGLQMHO-OFNKIYASSA-N
MW453.55 g/mol
LogP4.29
Rot. Bonds4

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

[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 10095435) has the molecular formula C24H34F3N3O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is [(1S,3R)-3-[methyl(oxan-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(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID10095435
Molecular FormulaC24H34F3N3O2
Molecular Weight453.55 g/mol
Exact Mass453.26
IUPAC Name[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N(C)C2CCOCC2)C1
InChIInChI=1S/C24H34F3N3O2/c1-16(2)23(8-4-20(13-23)29(3)19-6-10-32-11-7-19)22(31)30-9-5-21-17(15-30)12-18(14-28-21)24(25,26)27/h12,14,16,19-20H,4-11,13,15H2,1-3H3/t20-,23+/m1/s1
InChIKeyLCONANBKGLQMHO-OFNKIYASSA-N
XLogP4.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,3R)-3-[methyl(oxan-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(oxan-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(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 10095435) is [(1S,3R)-3-[methyl(oxan-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(oxan-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(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N(C)C2CCOCC2)C1.
What is the InChIKey of [(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is LCONANBKGLQMHO-OFNKIYASSA-N. The full InChI is InChI=1S/C24H34F3N3O2/c1-16(2)23(8-4-20(13-23)29(3)19-6-10-32-11-7-19)22(31)30-9-5-21-17(15-30)12-18(14-28-21)24(25,26)27/h12,14,16,19-20H,4-11,13,15H2,1-3H3/t20-,23+/m1/s1.
What are the key properties of [(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 453.55 g/mol, XLogP of 4.29, 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(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 10095435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).