[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone

C19H21ClN6O2 — CID 165117507

IUPAC[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@@H]1C(=O)N1CC(Oc2ncc(C(C)(C)N=[N+]=[N-])c3cc(Cl)ncc23)C1
InChIInChI=1S/C19H21ClN6O2/c1-10-4-12(10)18(27)26-8-11(9-26)28-17-14-6-22-16(20)5-13(14)15(7-23-17)19(2,3)24-25-21/h5-7,10-12H,4,8-9H2,1-3H3/t10-,12+/m1/s1
InChIKeyMSPCRNZMLZCLSQ-PWSUYJOCSA-N
MW400.87 g/mol
LogP4.07
Rot. Bonds5

About [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone

[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone (PubChem CID 165117507) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
PubChem CID165117507
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@@H]1C(=O)N1CC(Oc2ncc(C(C)(C)N=[N+]=[N-])c3cc(Cl)ncc23)C1
InChIInChI=1S/C19H21ClN6O2/c1-10-4-12(10)18(27)26-8-11(9-26)28-17-14-6-22-16(20)5-13(14)15(7-23-17)19(2,3)24-25-21/h5-7,10-12H,4,8-9H2,1-3H3/t10-,12+/m1/s1
InChIKeyMSPCRNZMLZCLSQ-PWSUYJOCSA-N
XLogP4.07
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone (CID 165117507) is [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone is C[C@@H]1C[C@@H]1C(=O)N1CC(Oc2ncc(C(C)(C)N=[N+]=[N-])c3cc(Cl)ncc23)C1.
What is the InChIKey of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone?
The InChIKey is MSPCRNZMLZCLSQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-10-4-12(10)18(27)26-8-11(9-26)28-17-14-6-22-16(20)5-13(14)15(7-23-17)19(2,3)24-25-21/h5-7,10-12H,4,8-9H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone?
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone has a molecular weight of 400.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 165117507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).