4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane

C84H108ClN21O6 — CID 167593892

IUPAC4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane
SMILESC.CC(C)(C)c1nccc(N)n1.COc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)O)c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)O)c2cc(Cl)ncc12
InChIInChI=1S/C21H25N7O.C21H27N5O.C21H26N4O2.C12H13ClN2O2.C8H13N3.CH4/c1-20(2,3)19-23-8-7-13(26-19)9-14-10-15-16(11-24-14)18(29-6)25-12-17(15)21(4,5)27-28-22;1-20(2,3)19-23-8-7-13(26-19)9-14-10-15-16(11-24-14)18(27-6)25-12-17(15)21(4,5)22;1-20(2,3)19-22-8-7-13(25-19)9-14-10-15-16(11-23-14)18(27-6)24-12-17(15)21(4,5)26;1-12(2,16)9-6-15-11(17-3)8-5-14-10(13)4-7(8)9;1-8(2,3)7-10-5-4-6(9)11-7;/h7-8,10-12H,9H2,1-6H3;7-8,10-12H,9,22H2,1-6H3;7-8,10-12,26H,9H2,1-6H3;4-6,16H,1-3H3;4-5H,1-3H3,(H2,9,10,11);1H4
InChIKeyIUCFWHHOVNOFKN-UHFFFAOYSA-N
MW1543.38 g/mol
LogP16.43
Rot. Bonds15

About 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane

4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane (PubChem CID 167593892) has the molecular formula C84H108ClN21O6 and a molecular weight of 1543.38 g/mol. Its IUPAC name is 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane.

Molecular Properties

Compound Name4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane
PubChem CID167593892
Molecular FormulaC84H108ClN21O6
Molecular Weight1543.38 g/mol
Exact Mass1541.85
IUPAC Name4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane
SMILESC.CC(C)(C)c1nccc(N)n1.COc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)O)c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)O)c2cc(Cl)ncc12
InChIInChI=1S/C21H25N7O.C21H27N5O.C21H26N4O2.C12H13ClN2O2.C8H13N3.CH4/c1-20(2,3)19-23-8-7-13(26-19)9-14-10-15-16(11-24-14)18(29-6)25-12-17(15)21(4,5)27-28-22;1-20(2,3)19-23-8-7-13(26-19)9-14-10-15-16(11-24-14)18(27-6)25-12-17(15)21(4,5)22;1-20(2,3)19-22-8-7-13(25-19)9-14-10-15-16(11-23-14)18(27-6)24-12-17(15)21(4,5)26;1-12(2,16)9-6-15-11(17-3)8-5-14-10(13)4-7(8)9;1-8(2,3)7-10-5-4-6(9)11-7;/h7-8,10-12H,9H2,1-6H3;7-8,10-12H,9,22H2,1-6H3;7-8,10-12,26H,9H2,1-6H3;4-6,16H,1-3H3;4-5H,1-3H3,(H2,9,10,11);1H4
InChIKeyIUCFWHHOVNOFKN-UHFFFAOYSA-N
XLogP16.43
TPSA384.42 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.38
LogP ≤ 516.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

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 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]butanoic acid
CID 165117429
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
CID 165380975
4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
CID 165381005
4-(2-azidopropan-2-yl)-6-chloro-1-[1-(methylsulfonylmethyl)cyclobutyl]oxy-2,7-naphthyridine
CID 175588952
[3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-cyclopropylmethanone
CID 165117838
4-(2-azidopropan-2-yl)-6-chloro-1-methylsulfanyl-2,7-naphthyridine
CID 169086425
2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484245
3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]-3-methylthietane 1,1-dioxide
CID 166484122
4-(2-azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoro-4-methylsulfonylbutan-2-yl)oxy-2,7-naphthyridine
CID 166483984
2-[6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483812
2-[1-(azetidin-3-yloxy)-6-chloro-2,7-naphthyridin-4-yl]propan-2-ol
CID 165117608

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane?
The IUPAC name of 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane (CID 167593892) is 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane.
What is the SMILES notation for 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane?
The canonical SMILES for 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane is C.CC(C)(C)c1nccc(N)n1.COc1ncc(C(C)(C)N)c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)N=[N+]=[N-])c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)O)c2cc(Cc3ccnc(C(C)(C)C)n3)ncc12.COc1ncc(C(C)(C)O)c2cc(Cl)ncc12.
What is the InChIKey of 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane?
The InChIKey is IUCFWHHOVNOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O.C21H27N5O.C21H26N4O2.C12H13ClN2O2.C8H13N3.CH4/c1-20(2,3)19-23-8-7-13(26-19)9-14-10-15-16(11-24-14)18(29-6)25-12-17(15)21(4,5)27-28-22;1-20(2,3)19-23-8-7-13(26-19)9-14-10-15-16(11-24-14)18(27-6)25-12-17(15)21(4,5)22;1-20(2,3)19-22-8-7-13(25-19)9-14-10-15-16(11-23-14)18(27-6)24-12-17(15)21(4,5)26;1-12(2,16)9-6-15-11(17-3)8-5-14-10(13)4-7(8)9;1-8(2,3)7-10-5-4-6(9)11-7;/h7-8,10-12H,9H2,1-6H3;7-8,10-12H,9,22H2,1-6H3;7-8,10-12,26H,9H2,1-6H3;4-6,16H,1-3H3;4-5H,1-3H3,(H2,9,10,11);1H4.
What are the key properties of 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane?
4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane has a molecular weight of 1543.38 g/mol, XLogP of 16.43, 15 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane is sourced from PubChem (CID 167593892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).