N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

C23H14ClF2N5O4 — CID 169025743

IUPACN-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
SMILESNC(=O)c1nccc(Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
InChIInChI=1S/C23H14ClF2N5O4/c24-19-18(8-9-28-20(19)21(27)32)35-17-6-3-13(11-16(17)26)30-22(33)15-7-10-29-31(23(15)34)14-4-1-12(25)2-5-14/h1-11H,(H2,27,32)(H,30,33)
InChIKeyPTBXZLUTIBMTKV-UHFFFAOYSA-N
MW497.85 g/mol
LogP3.70
Rot. Bonds6

About N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (PubChem CID 169025743) has the molecular formula C23H14ClF2N5O4 and a molecular weight of 497.85 g/mol. Its IUPAC name is N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
PubChem CID169025743
Molecular FormulaC23H14ClF2N5O4
Molecular Weight497.85 g/mol
Exact Mass497.07
IUPAC NameN-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
SMILESNC(=O)c1nccc(Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
InChIInChI=1S/C23H14ClF2N5O4/c24-19-18(8-9-28-20(19)21(27)32)35-17-6-3-13(11-16(17)26)30-22(33)15-7-10-29-31(23(15)34)14-4-1-12(25)2-5-14/h1-11H,(H2,27,32)(H,30,33)
InChIKeyPTBXZLUTIBMTKV-UHFFFAOYSA-N
XLogP3.70
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 67348506
N-[4-[[2-amino-3-[N'-(1,3-dihydroxypropan-2-yl)carbamimidoyl]-4-pyridinyl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 166579846
N-[4-[[2-amino-3-[N'-(3-methoxycyclobutyl)carbamimidoyl]-4-pyridinyl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 166579835
N-[3-fluoro-4-[[3-(4-methylpiperazine-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 59304394
N-[3-fluoro-4-[[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 24876601
N-[4-[[3-[4-(dimethylamino)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 135939671
N-[4-[[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide;hydrochloride
CID 67221449
N-[4-[[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 146425759
N-[4-[[2-amino-3-(3-morpholin-4-ylprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 169025755
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[3-fluoro-4-[[3-[[(1R)-2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 146432921
N-[3-fluoro-4-[[3-[[(2S)-2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 162678315

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (CID 169025743) is N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is NC(=O)c1nccc(Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl.
What is the InChIKey of N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The InChIKey is PTBXZLUTIBMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF2N5O4/c24-19-18(8-9-28-20(19)21(27)32)35-17-6-3-13(11-16(17)26)30-22(33)15-7-10-29-31(23(15)34)14-4-1-12(25)2-5-14/h1-11H,(H2,27,32)(H,30,33).
What are the key properties of N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 497.85 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 169025743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).