N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

C26H19F4N5O5 — CID 151008273

IUPACN-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nn(-c4cccc(OC(F)(F)F)c4)c(=O)cc3C)cc2F)ccn1
InChIInChI=1S/C26H19F4N5O5/c1-14-10-22(36)35(16-4-3-5-18(12-16)40-26(28,29)30)34-23(14)25(38)33-15-6-7-21(19(27)11-15)39-17-8-9-32-20(13-17)24(37)31-2/h3-13H,1-2H3,(H,31,37)(H,33,38)
InChIKeyLVNVUZUKEMARHF-UHFFFAOYSA-N
MW557.46 g/mol
LogP4.38
Rot. Bonds7

About N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide

N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (PubChem CID 151008273) has the molecular formula C26H19F4N5O5 and a molecular weight of 557.46 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
PubChem CID151008273
Molecular FormulaC26H19F4N5O5
Molecular Weight557.46 g/mol
Exact Mass557.13
IUPAC NameN-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nn(-c4cccc(OC(F)(F)F)c4)c(=O)cc3C)cc2F)ccn1
InChIInChI=1S/C26H19F4N5O5/c1-14-10-22(36)35(16-4-3-5-18(12-16)40-26(28,29)30)34-23(14)25(38)33-15-6-7-21(19(27)11-15)39-17-8-9-32-20(13-17)24(37)31-2/h3-13H,1-2H3,(H,31,37)(H,33,38)
InChIKeyLVNVUZUKEMARHF-UHFFFAOYSA-N
XLogP4.38
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 150004213
N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481090
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
CID 168876123
CID 168876123
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162670779
1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481088
1-(4-chloro-3-fluorophenyl)-N-[3-fluoro-4-[[2-[(3-hydroxyazetidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 175430328
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481094
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
N-methyl-4-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11385670
2-(3-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 162660316

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide (CID 151008273) is N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3nn(-c4cccc(OC(F)(F)F)c4)c(=O)cc3C)cc2F)ccn1.
What is the InChIKey of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is LVNVUZUKEMARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O5/c1-14-10-22(36)35(16-4-3-5-18(12-16)40-26(28,29)30)34-23(14)25(38)33-15-6-7-21(19(27)11-15)39-17-8-9-32-20(13-17)24(37)31-2/h3-13H,1-2H3,(H,31,37)(H,33,38).
What are the key properties of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide?
N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 557.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 151008273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).