1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide

C25H20FN5O4 — CID 139366938

IUPAC1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cnc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ncnc2c1
InChIInChI=1S/C25H20FN5O4/c1-34-19-12-20-21(27-13-19)22(29-14-28-20)35-18-8-6-17(7-9-18)31-24(33)25(10-11-25)23(32)30-16-4-2-15(26)3-5-16/h2-9,12-14H,10-11H2,1H3,(H,30,32)(H,31,33)
InChIKeyPTCNXTACPMUJGC-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.32
Rot. Bonds7

About 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 139366938) has the molecular formula C25H20FN5O4 and a molecular weight of 473.46 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID139366938
Molecular FormulaC25H20FN5O4
Molecular Weight473.46 g/mol
Exact Mass473.15
IUPAC Name1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cnc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ncnc2c1
InChIInChI=1S/C25H20FN5O4/c1-34-19-12-20-21(27-13-19)22(29-14-28-20)35-18-8-6-17(7-9-18)31-24(33)25(10-11-25)23(32)30-16-4-2-15(26)3-5-16/h2-9,12-14H,10-11H2,1H3,(H,30,32)(H,31,33)
InChIKeyPTCNXTACPMUJGC-UHFFFAOYSA-N
XLogP4.32
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 139366938) is 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide is COc1cnc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)ncnc2c1.
What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is PTCNXTACPMUJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O4/c1-34-19-12-20-21(27-13-19)22(29-14-28-20)35-18-8-6-17(7-9-18)31-24(33)25(10-11-25)23(32)30-16-4-2-15(26)3-5-16/h2-9,12-14H,10-11H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 473.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-fluorophenyl)-1-N-[4-(7-methoxypyrido[3,2-d]pyrimidin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 139366938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).