1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide

C27H23F2N5O3 — CID 143480769

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESC/C=C\N1N=CN=C(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)C1=C(C)C
InChIInChI=1S/C27H23F2N5O3/c1-4-13-34-24(17(2)3)26(30-16-31-34)37-23-12-9-19(15-22(23)29)32-25(35)21-6-5-14-33(27(21)36)20-10-7-18(28)8-11-20/h4-16H,1-3H3,(H,32,35)/b13-4-
InChIKeyXYXARHNIICLCLP-PQMHYQBVSA-N
MW503.51 g/mol
LogP5.23
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 143480769) has the molecular formula C27H23F2N5O3 and a molecular weight of 503.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID143480769
Molecular FormulaC27H23F2N5O3
Molecular Weight503.51 g/mol
Exact Mass503.18
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESC/C=C\N1N=CN=C(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)C1=C(C)C
InChIInChI=1S/C27H23F2N5O3/c1-4-13-34-24(17(2)3)26(30-16-31-34)37-23-12-9-19(15-22(23)29)32-25(35)21-6-5-14-33(27(21)36)20-10-7-18(28)8-11-20/h4-16H,1-3H3,(H,32,35)/b13-4-
InChIKeyXYXARHNIICLCLP-PQMHYQBVSA-N
XLogP5.23
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118203931
N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 46852479
N-[4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 56657971
N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 166717006
1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118197847
[(2Z)-2-[3-[2-fluoro-4-[[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]phenoxy]-5-[(1-methylpyrazol-4-yl)amino]-1H-pyridin-2-ylidene]ethylidene]azanium
CID 154017412
N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 143889995
N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71579393
N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 137256162
N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(pyridin-2-ylamino)-3-pyridinyl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 123837784
N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 137256194

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide (CID 143480769) is 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide is C/C=C\N1N=CN=C(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)C1=C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is XYXARHNIICLCLP-PQMHYQBVSA-N. The full InChI is InChI=1S/C27H23F2N5O3/c1-4-13-34-24(17(2)3)26(30-16-31-34)37-23-12-9-19(15-22(23)29)32-25(35)21-6-5-14-33(27(21)36)20-10-7-18(28)8-11-20/h4-16H,1-3H3,(H,32,35)/b13-4-.
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 503.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 143480769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).