1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide

C24H18F2N4O3 — CID 118203915

IUPAC1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3cccn4nccc34)c(F)c2)CC1
InChIInChI=1S/C24H18F2N4O3/c25-15-3-5-16(6-4-15)28-22(31)24(10-11-24)23(32)29-17-7-8-20(18(26)14-17)33-21-2-1-13-30-19(21)9-12-27-30/h1-9,12-14H,10-11H2,(H,28,31)(H,29,32)
InChIKeyFYFBSDPJSCXGID-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.76
Rot. Bonds6

About 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 118203915) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID118203915
Molecular FormulaC24H18F2N4O3
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC Name1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3cccn4nccc34)c(F)c2)CC1
InChIInChI=1S/C24H18F2N4O3/c25-15-3-5-16(6-4-15)28-22(31)24(10-11-24)23(32)29-17-7-8-20(18(26)14-17)33-21-2-1-13-30-19(21)9-12-27-30/h1-9,12-14H,10-11H2,(H,28,31)(H,29,32)
InChIKeyFYFBSDPJSCXGID-UHFFFAOYSA-N
XLogP4.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Azd-2906
CID 25013811
N1-(3-Fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yloxy)phenyl)-N3-(4-fluoro-phenyl)malonamide
CID 11546617
1-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24791778
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24794292
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 24819287
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide
CID 134149846
c-Kit-IN-1
CID 46208890
US9815840, Example 7
CID 91663332
US9914731, Ex. No. 25
CID 91810848
US9815840, Example 82
CID 117946881
US9815840, Example 56
CID 117946896
US9815840, Example 63
CID 117946904

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 118203915) is 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3cccn4nccc34)c(F)c2)CC1.
What is the InChIKey of 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is FYFBSDPJSCXGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c25-15-3-5-16(6-4-15)28-22(31)24(10-11-24)23(32)29-17-7-8-20(18(26)14-17)33-21-2-1-13-30-19(21)9-12-27-30/h1-9,12-14H,10-11H2,(H,28,31)(H,29,32).
What are the key properties of 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-1-N'-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 118203915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).