4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

C57H51Cl2F2N11O5 — CID 158739165

IUPAC4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
SMILESCN(C)c1cc2[nH]ccc(=O)c2cn1.CN(C)c1cc2nccc(Cl)c2cn1.CN(C)c1cc2nccc(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)c(F)c3)c2cn1.O=c1cc[nH]c2cc(Cl)ncc12
InChIInChI=1S/C29H25F2N3O3.C10H10ClN3.C10H11N3O.C8H5ClN2O/c1-34(2)28-16-24-22(17-33-28)25(9-12-32-24)37-21-8-5-19(23(31)15-21)14-27(36)29(10-11-29)26(35)13-18-3-6-20(30)7-4-18;1-14(2)10-5-9-7(6-13-10)8(11)3-4-12-9;1-13(2)10-5-8-7(6-12-10)9(14)3-4-11-8;9-8-3-6-5(4-11-8)7(12)1-2-10-6/h3-9,12,15-17H,10-11,13-14H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,11,14);1-4H,(H,10,12)
InChIKeyIMBIUSWIPKIWQL-UHFFFAOYSA-N
MW1079.01 g/mol
LogP10.38
Rot. Bonds11

About 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (PubChem CID 158739165) has the molecular formula C57H51Cl2F2N11O5 and a molecular weight of 1079.01 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
PubChem CID158739165
Molecular FormulaC57H51Cl2F2N11O5
Molecular Weight1079.01 g/mol
Exact Mass1077.34
IUPAC Name4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
SMILESCN(C)c1cc2[nH]ccc(=O)c2cn1.CN(C)c1cc2nccc(Cl)c2cn1.CN(C)c1cc2nccc(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)c(F)c3)c2cn1.O=c1cc[nH]c2cc(Cl)ncc12
InChIInChI=1S/C29H25F2N3O3.C10H10ClN3.C10H11N3O.C8H5ClN2O/c1-34(2)28-16-24-22(17-33-28)25(9-12-32-24)37-21-8-5-19(23(31)15-21)14-27(36)29(10-11-29)26(35)13-18-3-6-20(30)7-4-18;1-14(2)10-5-9-7(6-13-10)8(11)3-4-12-9;1-13(2)10-5-8-7(6-12-10)9(14)3-4-11-8;9-8-3-6-5(4-11-8)7(12)1-2-10-6/h3-9,12,15-17H,10-11,13-14H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,11,14);1-4H,(H,10,12)
InChIKeyIMBIUSWIPKIWQL-UHFFFAOYSA-N
XLogP10.38
TPSA196.15 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.01
LogP ≤ 510.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (CID 158739165) is 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is CN(C)c1cc2[nH]ccc(=O)c2cn1.CN(C)c1cc2nccc(Cl)c2cn1.CN(C)c1cc2nccc(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)c(F)c3)c2cn1.O=c1cc[nH]c2cc(Cl)ncc12.
What is the InChIKey of 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?
The InChIKey is IMBIUSWIPKIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N3O3.C10H10ClN3.C10H11N3O.C8H5ClN2O/c1-34(2)28-16-24-22(17-33-28)25(9-12-32-24)37-21-8-5-19(23(31)15-21)14-27(36)29(10-11-29)26(35)13-18-3-6-20(30)7-4-18;1-14(2)10-5-9-7(6-13-10)8(11)3-4-12-9;1-13(2)10-5-8-7(6-12-10)9(14)3-4-11-8;9-8-3-6-5(4-11-8)7(12)1-2-10-6/h3-9,12,15-17H,10-11,13-14H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,11,14);1-4H,(H,10,12).
What are the key properties of 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?
4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone has a molecular weight of 1079.01 g/mol, XLogP of 10.38, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-1,6-naphthyridin-7-amine;7-chloro-1H-1,6-naphthyridin-4-one;7-(dimethylamino)-1H-1,6-naphthyridin-4-one;1-[1-[2-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-2-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 158739165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).