1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C24H18F3N5O3 — CID 24875737

IUPAC1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1[nH]nc2ncc(F)c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12
InChIInChI=1S/C24H18F3N5O3/c1-12-19-20(17(27)11-28-21(19)32-31-12)35-18-7-6-15(10-16(18)26)30-23(34)24(8-9-24)22(33)29-14-4-2-13(25)3-5-14/h2-7,10-11H,8-9H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
InChIKeyWKINOLPWAKVXAT-UHFFFAOYSA-N
MW481.43 g/mol
LogP4.83
Rot. Bonds6

About 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 24875737) has the molecular formula C24H18F3N5O3 and a molecular weight of 481.43 g/mol. Its IUPAC name is 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID24875737
Molecular FormulaC24H18F3N5O3
Molecular Weight481.43 g/mol
Exact Mass481.14
IUPAC Name1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1[nH]nc2ncc(F)c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12
InChIInChI=1S/C24H18F3N5O3/c1-12-19-20(17(27)11-28-21(19)32-31-12)35-18-7-6-15(10-16(18)26)30-23(34)24(8-9-24)22(33)29-14-4-2-13(25)3-5-14/h2-7,10-11H,8-9H2,1H3,(H,29,33)(H,30,34)(H,28,31,32)
InChIKeyWKINOLPWAKVXAT-UHFFFAOYSA-N
XLogP4.83
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 24875737) is 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is Cc1[nH]nc2ncc(F)c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12.
What is the InChIKey of 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WKINOLPWAKVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O3/c1-12-19-20(17(27)11-28-21(19)32-31-12)35-18-7-6-15(10-16(18)26)30-23(34)24(8-9-24)22(33)29-14-4-2-13(25)3-5-14/h2-7,10-11H,8-9H2,1H3,(H,29,33)(H,30,34)(H,28,31,32).
What are the key properties of 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 481.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[3-fluoro-4-[(5-fluoro-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 24875737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).