[(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

C22H22ClN5O3 — CID 164798711

About [(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

[(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 (PubChem CID 164798711) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 164798711
• Molecular Formula: C22H22ClN5O3
• Molecular Weight: 439.90 g/mol
• Exact Mass: 439.14
• IUPAC Name: [(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
• SMILES: C[C@@H]1COC[C@H](c2ccc(Cl)nc2)N1C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3
• InChI: InChI=1S/C22H22ClN5O3/c1-11-8-30-10-18(13-3-4-19(23)26-6-13)28(11)22(29)16-5-14-15-9-31-12(2)20(15)21(24)27-17(14)7-25-16/h3-7,11-12,18H,8-10H2,1-2H3,(H2,24,27)/t11-,12-,18-/m1/s1
• InChIKey: RIFNQCWWQDUXPZ-SEDUGSJDSA-N
• XLogP: 3.45
• TPSA: 103.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.90
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is C[C@@H]1COC[C@H](c2ccc(Cl)nc2)N1C(=O)c1cc2c3c(c(N)nc2cn1)[C@@H](C)OC3.

What is the InChIKey of [(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?

The InChIKey is RIFNQCWWQDUXPZ-SEDUGSJDSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-11-8-30-10-18(13-3-4-19(23)26-6-13)28(11)22(29)16-5-14-15-9-31-12(2)20(15)21(24)27-17(14)7-25-16/h3-7,11-12,18H,8-10H2,1-2H3,(H2,24,27)/t11-,12-,18-/m1/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 439.90 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 164798711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).