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

C26H21ClFN5O5 — CID 139356870

IUPAC1-N'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ncc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)c2nc1OC
InChIInChI=1S/C26H21ClFN5O5/c1-36-20-12-18-21(33-23(20)37-2)19(7-10-29-18)38-22-17(27)11-16(13-30-22)32-25(35)26(8-9-26)24(34)31-15-5-3-14(28)4-6-15/h3-7,10-13H,8-9H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyGBGXUVPPNWEOLE-UHFFFAOYSA-N
MW537.94 g/mol
LogP4.98
Rot. Bonds8

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

1-N'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 139356870) has the molecular formula C26H21ClFN5O5 and a molecular weight of 537.94 g/mol. Its IUPAC name is 1-N'-[5-chloro-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'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID139356870
Molecular FormulaC26H21ClFN5O5
Molecular Weight537.94 g/mol
Exact Mass537.12
IUPAC Name1-N'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ncc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)c2nc1OC
InChIInChI=1S/C26H21ClFN5O5/c1-36-20-12-18-21(33-23(20)37-2)19(7-10-29-18)38-22-17(27)11-16(13-30-22)32-25(35)26(8-9-26)24(34)31-15-5-3-14(28)4-6-15/h3-7,10-13H,8-9H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyGBGXUVPPNWEOLE-UHFFFAOYSA-N
XLogP4.98
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.94
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[5-chloro-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'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 139356870) is 1-N'-[5-chloro-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'-[5-chloro-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'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is COc1cc2nccc(Oc3ncc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)c2nc1OC.
What is the InChIKey of 1-N'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is GBGXUVPPNWEOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O5/c1-36-20-12-18-21(33-23(20)37-2)19(7-10-29-18)38-22-17(27)11-16(13-30-22)32-25(35)26(8-9-26)24(34)31-15-5-3-14(28)4-6-15/h3-7,10-13H,8-9H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of 1-N'-[5-chloro-6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[5-chloro-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 537.94 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[5-chloro-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 139356870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).