1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C26H22FN5O5 — CID 155674569

IUPAC1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cn3)c2nc1OC
InChIInChI=1S/C26H22FN5O5/c1-35-20-13-18-22(32-23(20)36-2)19(9-12-28-18)37-21-8-7-17(14-29-21)31-25(34)26(10-11-26)24(33)30-16-5-3-15(27)4-6-16/h3-9,12-14H,10-11H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyBSKHIANLHIEMMY-UHFFFAOYSA-N
MW503.49 g/mol
LogP4.33
Rot. Bonds8

About 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 155674569) has the molecular formula C26H22FN5O5 and a molecular weight of 503.49 g/mol. Its IUPAC name is 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID155674569
Molecular FormulaC26H22FN5O5
Molecular Weight503.49 g/mol
Exact Mass503.16
IUPAC Name1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cn3)c2nc1OC
InChIInChI=1S/C26H22FN5O5/c1-35-20-13-18-22(32-23(20)36-2)19(9-12-28-18)37-21-8-7-17(14-29-21)31-25(34)26(10-11-26)24(33)30-16-5-3-15(27)4-6-16/h3-9,12-14H,10-11H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyBSKHIANLHIEMMY-UHFFFAOYSA-N
XLogP4.33
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 155674569) is 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cn3)c2nc1OC.
What is the InChIKey of 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BSKHIANLHIEMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O5/c1-35-20-13-18-22(32-23(20)36-2)19(9-12-28-18)37-21-8-7-17(14-29-21)31-25(34)26(10-11-26)24(33)30-16-5-3-15(27)4-6-16/h3-9,12-14H,10-11H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 503.49 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155674569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).