2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide

C22H15F4N5O3 — CID 169249458

IUPAC2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide
SMILESCc1cc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1-c1cc(=O)c2c(C(N)=O)nncc2[nH]1
InChIInChI=1S/C22H15F4N5O3/c1-9-5-11(23)3-4-16(9)34-21-17(10(2)12(7-28-21)22(24,25)26)13-6-15(32)18-14(30-13)8-29-31-19(18)20(27)33/h3-8H,1-2H3,(H2,27,33)(H,30,32)
InChIKeyWONZCLPSTBAKGY-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.05
Rot. Bonds4

About 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide

2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide (PubChem CID 169249458) has the molecular formula C22H15F4N5O3 and a molecular weight of 473.39 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide
PubChem CID169249458
Molecular FormulaC22H15F4N5O3
Molecular Weight473.39 g/mol
Exact Mass473.11
IUPAC Name2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide
SMILESCc1cc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1-c1cc(=O)c2c(C(N)=O)nncc2[nH]1
InChIInChI=1S/C22H15F4N5O3/c1-9-5-11(23)3-4-16(9)34-21-17(10(2)12(7-28-21)22(24,25)26)13-6-15(32)18-14(30-13)8-29-31-19(18)20(27)33/h3-8H,1-2H3,(H2,27,33)(H,30,32)
InChIKeyWONZCLPSTBAKGY-UHFFFAOYSA-N
XLogP4.05
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249231
2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249148
(3S)-1-[2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-quinolin-5-yl]pyrrolidine-3-carboxamide
CID 170416775
2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249446
3-bromo-2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)pyridine
CID 169249031
5-[5-(aminomethyl)pyrazol-1-yl]-2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-1H-1,6-naphthyridin-4-one
CID 169249342
2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175967839
5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one
CID 169249500
6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one
CID 169250650
6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
CID 169250512
2-(4-tert-butyl-2,3-difluoro-6-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256654
(4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one
CID 169250713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide?
The IUPAC name of 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide (CID 169249458) is 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide?
The canonical SMILES for 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide is Cc1cc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1-c1cc(=O)c2c(C(N)=O)nncc2[nH]1.
What is the InChIKey of 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide?
The InChIKey is WONZCLPSTBAKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O3/c1-9-5-11(23)3-4-16(9)34-21-17(10(2)12(7-28-21)22(24,25)26)13-6-15(32)18-14(30-13)8-29-31-19(18)20(27)33/h3-8H,1-2H3,(H2,27,33)(H,30,32).
What are the key properties of 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide?
2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide has a molecular weight of 473.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide is sourced from PubChem (CID 169249458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).