2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide

C24H15F2N5O3 — CID 118203802

IUPAC2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccn3nccc23)c(F)c1)c1ccnn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H15F2N5O3/c25-15-3-6-17(7-4-15)31-24(33)18(9-11-28-31)23(32)29-16-5-8-21(19(26)14-16)34-22-2-1-13-30-20(22)10-12-27-30/h1-14H,(H,29,32)
InChIKeyHQJADEKVKYQMRJ-UHFFFAOYSA-N
MW459.41 g/mol
LogP4.20
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide

2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide (PubChem CID 118203802) has the molecular formula C24H15F2N5O3 and a molecular weight of 459.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide
PubChem CID118203802
Molecular FormulaC24H15F2N5O3
Molecular Weight459.41 g/mol
Exact Mass459.11
IUPAC Name2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccn3nccc23)c(F)c1)c1ccnn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C24H15F2N5O3/c25-15-3-6-17(7-4-15)31-24(33)18(9-11-28-31)23(32)29-16-5-8-21(19(26)14-16)34-22-2-1-13-30-20(22)10-12-27-30/h1-14H,(H,29,32)
InChIKeyHQJADEKVKYQMRJ-UHFFFAOYSA-N
XLogP4.20
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24791778
1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 164608884
1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 164613439
c-Kit-IN-1
CID 46208890
US9815840, Example 7
CID 91663332
US9914731, Ex. No. 25
CID 91810848
US9815840, Example 82
CID 117946881
US9815840, Example 29
CID 117946887
US9815840, Example 56
CID 117946896
US9815840, Example 63
CID 117946904
US9815840, Example 76
CID 117946907
US9815840, Example 49
CID 117946923

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide (CID 118203802) is 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide is O=C(Nc1ccc(Oc2cccn3nccc23)c(F)c1)c1ccnn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide?
The InChIKey is HQJADEKVKYQMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N5O3/c25-15-3-6-17(7-4-15)31-24(33)18(9-11-28-31)23(32)29-16-5-8-21(19(26)14-16)34-22-2-1-13-30-20(22)10-12-27-30/h1-14H,(H,29,32).
What are the key properties of 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide?
2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 459.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 118203802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).