(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C23H19F5N4O2 — CID 164798651

IUPAC(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESNc1nc2cnc(C(=O)N3CCC(F)(F)C[C@@H]3c3ccc(C(F)(F)F)cc3)cc2c2c1COC2
InChIInChI=1S/C23H19F5N4O2/c24-22(25)5-6-32(19(8-22)12-1-3-13(4-2-12)23(26,27)28)21(33)17-7-14-15-10-34-11-16(15)20(29)31-18(14)9-30-17/h1-4,7,9,19H,5-6,8,10-11H2,(H2,29,31)/t19-/m1/s1
InChIKeySJSVRNMKWGAHOI-LJQANCHMSA-N
MW478.42 g/mol
LogP4.87
Rot. Bonds2

About (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 164798651) has the molecular formula C23H19F5N4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID164798651
Molecular FormulaC23H19F5N4O2
Molecular Weight478.42 g/mol
Exact Mass478.14
IUPAC Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESNc1nc2cnc(C(=O)N3CCC(F)(F)C[C@@H]3c3ccc(C(F)(F)F)cc3)cc2c2c1COC2
InChIInChI=1S/C23H19F5N4O2/c24-22(25)5-6-32(19(8-22)12-1-3-13(4-2-12)23(26,27)28)21(33)17-7-14-15-10-34-11-16(15)20(29)31-18(14)9-30-17/h1-4,7,9,19H,5-6,8,10-11H2,(H2,29,31)/t19-/m1/s1
InChIKeySJSVRNMKWGAHOI-LJQANCHMSA-N
XLogP4.87
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 164798651) is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Nc1nc2cnc(C(=O)N3CCC(F)(F)C[C@@H]3c3ccc(C(F)(F)F)cc3)cc2c2c1COC2.
What is the InChIKey of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is SJSVRNMKWGAHOI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H19F5N4O2/c24-22(25)5-6-32(19(8-22)12-1-3-13(4-2-12)23(26,27)28)21(33)17-7-14-15-10-34-11-16(15)20(29)31-18(14)9-30-17/h1-4,7,9,19H,5-6,8,10-11H2,(H2,29,31)/t19-/m1/s1.
What are the key properties of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 478.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2R)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 164798651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).