[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone

C23H23FN4O3 — CID 164981184

IUPAC[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone
SMILESCc1cc([C@H]2COCCN2C(=O)c2cc3c4c(c(N)nc3cn2)[C@H](C)OC4)ccc1F
InChIInChI=1S/C23H23FN4O3/c1-12-7-14(3-4-17(12)24)20-11-30-6-5-28(20)23(29)18-8-15-16-10-31-13(2)21(16)22(25)27-19(15)9-26-18/h3-4,7-9,13,20H,5-6,10-11H2,1-2H3,(H2,25,27)/t13-,20+/m0/s1
InChIKeyFMXADYMDLSLWMW-RNODOKPDSA-N
MW422.46 g/mol
LogP3.46
Rot. Bonds2

About [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone

[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone (PubChem CID 164981184) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone
PubChem CID164981184
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone
SMILESCc1cc([C@H]2COCCN2C(=O)c2cc3c4c(c(N)nc3cn2)[C@H](C)OC4)ccc1F
InChIInChI=1S/C23H23FN4O3/c1-12-7-14(3-4-17(12)24)20-11-30-6-5-28(20)23(29)18-8-15-16-10-31-13(2)21(16)22(25)27-19(15)9-26-18/h3-4,7-9,13,20H,5-6,10-11H2,1-2H3,(H2,25,27)/t13-,20+/m0/s1
InChIKeyFMXADYMDLSLWMW-RNODOKPDSA-N
XLogP3.46
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone?
The IUPAC name of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone (CID 164981184) is [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone?
The canonical SMILES for [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone is Cc1cc([C@H]2COCCN2C(=O)c2cc3c4c(c(N)nc3cn2)[C@H](C)OC4)ccc1F.
What is the InChIKey of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone?
The InChIKey is FMXADYMDLSLWMW-RNODOKPDSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-12-7-14(3-4-17(12)24)20-11-30-6-5-28(20)23(29)18-8-15-16-10-31-13(2)21(16)22(25)27-19(15)9-26-18/h3-4,7-9,13,20H,5-6,10-11H2,1-2H3,(H2,25,27)/t13-,20+/m0/s1.
What are the key properties of [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone?
[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone has a molecular weight of 422.46 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S)-3-(4-fluoro-3-methylphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 164981184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).