(4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one

C22H24F3N5O3 — CID 177205368

IUPAC(4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1nc2c(c3c1COC3)CC(C(=O)N1CC=CCC1)NC2.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C16H20N4O2.C6H4F3NO/c17-15-12-9-22-8-11(12)10-6-13(18-7-14(10)19-15)16(21)20-4-2-1-3-5-20;7-6(8,9)4-2-1-3-5(11)10-4/h1-2,13,18H,3-9H2,(H2,17,19);1-3H,(H,10,11)
InChIKeyPKQCNXVUYBFUFM-UHFFFAOYSA-N
MW463.46 g/mol
LogP1.89
Rot. Bonds1

About (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one

(4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 177205368) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name(4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID177205368
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name(4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1nc2c(c3c1COC3)CC(C(=O)N1CC=CCC1)NC2.O=c1cccc(C(F)(F)F)[nH]1
InChIInChI=1S/C16H20N4O2.C6H4F3NO/c17-15-12-9-22-8-11(12)10-6-13(18-7-14(10)19-15)16(21)20-4-2-1-3-5-20;7-6(8,9)4-2-1-3-5(11)10-4/h1-2,13,18H,3-9H2,(H2,17,19);1-3H,(H,10,11)
InChIKeyPKQCNXVUYBFUFM-UHFFFAOYSA-N
XLogP1.89
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one (CID 177205368) is (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one is Nc1nc2c(c3c1COC3)CC(C(=O)N1CC=CCC1)NC2.O=c1cccc(C(F)(F)F)[nH]1.
What is the InChIKey of (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PKQCNXVUYBFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C6H4F3NO/c17-15-12-9-22-8-11(12)10-6-13(18-7-14(10)19-15)16(21)20-4-2-1-3-5-20;7-6(8,9)4-2-1-3-5(11)10-4/h1-2,13,18H,3-9H2,(H2,17,19);1-3H,(H,10,11).
What are the key properties of (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one?
(4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 463.46 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3,6,7,8,9-hexahydrofuro[3,4-c][1,7]naphthyridin-8-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone;6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 177205368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).