(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone

C21H22F2N6O4 — CID 164798832

IUPAC(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](C2=CC=C(OC(F)F)NN2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3
InChIInChI=1S/C21H22F2N6O4/c1-10-6-31-9-17(14-2-3-18(28-27-14)33-21(22)23)29(10)20(30)15-4-11-12-7-32-8-13(12)19(24)26-16(11)5-25-15/h2-5,10,17,21,27-28H,6-9H2,1H3,(H2,24,26)/t10-,17-/m1/s1
InChIKeyUPKLTWZNYKNCNR-BMLIUANNSA-N
MW460.44 g/mol
LogP1.54
Rot. Bonds4

About (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone (PubChem CID 164798832) has the molecular formula C21H22F2N6O4 and a molecular weight of 460.44 g/mol. Its IUPAC name is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
PubChem CID164798832
Molecular FormulaC21H22F2N6O4
Molecular Weight460.44 g/mol
Exact Mass460.17
IUPAC Name(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COC[C@H](C2=CC=C(OC(F)F)NN2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3
InChIInChI=1S/C21H22F2N6O4/c1-10-6-31-9-17(14-2-3-18(28-27-14)33-21(22)23)29(10)20(30)15-4-11-12-7-32-8-13(12)19(24)26-16(11)5-25-15/h2-5,10,17,21,27-28H,6-9H2,1H3,(H2,24,26)/t10-,17-/m1/s1
InChIKeyUPKLTWZNYKNCNR-BMLIUANNSA-N
XLogP1.54
TPSA123.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
CID 164798340
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798672
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)pyridazin-3-yl]-5-methylmorpholin-4-yl]methanone
CID 164798501
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798492
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-chloro-3-pyridinyl)-5-methylmorpholin-4-yl]methanone
CID 164798711
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3R,5S)-3-(6-chloro-3-pyridinyl)-5-methylmorpholin-4-yl]methanone
CID 164798478
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
CID 164798694
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl]-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798367
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798544
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-ethoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
CID 164798416
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S)-3-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]methanone
CID 164798385
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S,5R)-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]morpholin-4-yl]methanone
CID 164798578

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone (CID 164798832) is (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone is C[C@@H]1COC[C@H](C2=CC=C(OC(F)F)NN2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3.
What is the InChIKey of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
The InChIKey is UPKLTWZNYKNCNR-BMLIUANNSA-N. The full InChI is InChI=1S/C21H22F2N6O4/c1-10-6-31-9-17(14-2-3-18(28-27-14)33-21(22)23)29(10)20(30)15-4-11-12-7-32-8-13(12)19(24)26-16(11)5-25-15/h2-5,10,17,21,27-28H,6-9H2,1H3,(H2,24,26)/t10-,17-/m1/s1.
What are the key properties of (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone?
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3S,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone has a molecular weight of 460.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 9 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,5R)-3-[6-(difluoromethoxy)-1,2-dihydropyridazin-3-yl]-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 164798832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).