[(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

C29H24F2N7O3+ — CID 154017412

IUPAC[(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
SMILESCn1cc(NC2=CN/C(=C\C=[NH2+])C(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)=C2)cn1
InChIInChI=1S/C29H23F2N7O3/c1-37-17-21(16-34-37)35-20-14-27(25(10-11-32)33-15-20)41-26-9-6-19(13-24(26)31)36-28(39)23-3-2-12-38(29(23)40)22-7-4-18(30)5-8-22/h2-17,32-33,35H,1H3,(H,36,39)/p+1/b25-10-,32-11?
InChIKeySYRFITCXFFNSJE-GHVDRMONSA-O
MW556.55 g/mol
LogP2.63
Rot. Bonds8

About [(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

[(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 (PubChem CID 154017412) has the molecular formula C29H24F2N7O3+ and a molecular weight of 556.55 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID154017412
Molecular FormulaC29H24F2N7O3+
Molecular Weight556.55 g/mol
Exact Mass556.19
IUPAC Name[(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
SMILESCn1cc(NC2=CN/C(=C\C=[NH2+])C(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)=C2)cn1
InChIInChI=1S/C29H23F2N7O3/c1-37-17-21(16-34-37)35-20-14-27(25(10-11-32)33-15-20)41-26-9-6-19(13-24(26)31)36-28(39)23-3-2-12-38(29(23)40)22-7-4-18(30)5-8-22/h2-17,32-33,35H,1H3,(H,36,39)/p+1/b25-10-,32-11?
InChIKeySYRFITCXFFNSJE-GHVDRMONSA-O
XLogP2.63
TPSA127.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.55
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(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 with MolForge

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Related Compounds

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-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylimidazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 137256194
N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1,3-thiazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 137256193
1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 137256150
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
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
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
N-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771
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
N-[3-fluoro-4-[[2-(2-iminoethyl)-5-(pyridin-2-ylamino)-3-pyridinyl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 123837784

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cn1cc(NC2=CN/C(=C\C=[NH2+])C(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)=C2)cn1.
What is the InChIKey of [(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?
The InChIKey is SYRFITCXFFNSJE-GHVDRMONSA-O. The full InChI is InChI=1S/C29H23F2N7O3/c1-37-17-21(16-34-37)35-20-14-27(25(10-11-32)33-15-20)41-26-9-6-19(13-24(26)31)36-28(39)23-3-2-12-38(29(23)40)22-7-4-18(30)5-8-22/h2-17,32-33,35H,1H3,(H,36,39)/p+1/b25-10-,32-11?.
What are the key properties of [(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?
[(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 has a molecular weight of 556.55 g/mol, XLogP of 2.63, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 154017412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).