(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone

C23H21F3N4O3 — CID 164798691

IUPAC(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cnc(C(=O)N3CCOC[C@@H]3c3ccc(CC(F)(F)F)cc3)cc2c2c1COC2
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)8-13-1-3-14(4-2-13)20-12-32-6-5-30(20)22(31)18-7-15-16-10-33-11-17(16)21(27)29-19(15)9-28-18/h1-4,7,9,20H,5-6,8,10-12H2,(H2,27,29)/t20-/m1/s1
InChIKeyBQEFDNUNYUUTOP-HXUWFJFHSA-N
MW458.44 g/mol
LogP3.56
Rot. Bonds3

About (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 164798691) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
PubChem CID164798691
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone
SMILESNc1nc2cnc(C(=O)N3CCOC[C@@H]3c3ccc(CC(F)(F)F)cc3)cc2c2c1COC2
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)8-13-1-3-14(4-2-13)20-12-32-6-5-30(20)22(31)18-7-15-16-10-33-11-17(16)21(27)29-19(15)9-28-18/h1-4,7,9,20H,5-6,8,10-12H2,(H2,27,29)/t20-/m1/s1
InChIKeyBQEFDNUNYUUTOP-HXUWFJFHSA-N
XLogP3.56
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-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)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone (CID 164798691) is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone is Nc1nc2cnc(C(=O)N3CCOC[C@@H]3c3ccc(CC(F)(F)F)cc3)cc2c2c1COC2.
What is the InChIKey of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is BQEFDNUNYUUTOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c24-23(25,26)8-13-1-3-14(4-2-13)20-12-32-6-5-30(20)22(31)18-7-15-16-10-33-11-17(16)21(27)29-19(15)9-28-18/h1-4,7,9,20H,5-6,8,10-12H2,(H2,27,29)/t20-/m1/s1.
What are the key properties of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone?
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 458.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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)-[(3S)-3-[4-(2,2,2-trifluoroethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 164798691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).