[(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate

C26H26F2N6O5 — CID 143163732

IUPAC[(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate
SMILESC/C=C1\C(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)=NC=NN1/C=C(\C)OC(=O)NCC
InChIInChI=1S/C26H26F2N6O5/c1-4-21-24(30-15-31-34(21)14-16(3)38-26(37)29-5-2)39-22-11-10-19(13-20(22)28)32-25(36)33-23(35)12-17-6-8-18(27)9-7-17/h4,6-11,13-15H,5,12H2,1-3H3,(H,29,37)(H2,32,33,35,36)/b16-14+,21-4+
InChIKeyCWQRSRKCEBASJF-MHBCPBLYSA-N
MW540.53 g/mol
LogP4.40
Rot. Bonds7

About [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate

[(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate (PubChem CID 143163732) has the molecular formula C26H26F2N6O5 and a molecular weight of 540.53 g/mol. Its IUPAC name is [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate
PubChem CID143163732
Molecular FormulaC26H26F2N6O5
Molecular Weight540.53 g/mol
Exact Mass540.19
IUPAC Name[(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate
SMILESC/C=C1\C(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)=NC=NN1/C=C(\C)OC(=O)NCC
InChIInChI=1S/C26H26F2N6O5/c1-4-21-24(30-15-31-34(21)14-16(3)38-26(37)29-5-2)39-22-11-10-19(13-20(22)28)32-25(36)33-23(35)12-17-6-8-18(27)9-7-17/h4,6-11,13-15H,5,12H2,1-3H3,(H,29,37)(H2,32,33,35,36)/b16-14+,21-4+
InChIKeyCWQRSRKCEBASJF-MHBCPBLYSA-N
XLogP4.40
TPSA133.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.53
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[[5-[(4-aminopiperidin-1-yl)methyl]-4aH-pyrrolo[2,1-f][1,2,4]triazin-8-ium-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 24752846
tert-Butyl 2-{4-[6-amino-5-(4-fluorobenzoyl)-2-oxo-1(2H)-pyridinyl]-3,5-difluorophenoxy}ethylcarbamate
CID 58608532
N-[[4-(7aH-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 58710205
N-[[4-[1-amino-3-[(4-methoxyphenyl)methylamino]-3-methyliminoprop-1-enoxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 68256496
N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide
CID 70891915
benzyl N-[[4-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]carbamoyl]cyclohexyl]methyl]carbamate
CID 70891930
N-[4-[5-[(4-aminopiperidin-1-yl)methyl]-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-6,7-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl]butyl]prop-2-enamide
CID 123308051
N-[[4-[(E)-3-amino-1-(methylamino)-3-(4-phenylmethoxyphenyl)iminoprop-1-enoxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 136598280
2-(4-fluorophenyl)-N-[[3-fluoro-4-(6H-pyrido[1,2-b]pyridazin-4-yloxy)phenyl]carbamothioyl]acetamide
CID 143163642
ethyl 3-cyano-4-[2-fluoro-4-[(2-phenylacetyl)carbamoylamino]phenoxy]-5-methyl-6H-pyrido[1,2-b]pyridazine-7-carboxylate
CID 143163699
N-[[4-[[2-[4-(dimethylamino)butylamino]-2,3-dihydropyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 163634731
Methyl 3-(4-fluorophenyl)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 3705496

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate?
The IUPAC name of [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate (CID 143163732) is [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate.
What is the SMILES notation for [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate?
The canonical SMILES for [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate is C/C=C1\C(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)=NC=NN1/C=C(\C)OC(=O)NCC.
What is the InChIKey of [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate?
The InChIKey is CWQRSRKCEBASJF-MHBCPBLYSA-N. The full InChI is InChI=1S/C26H26F2N6O5/c1-4-21-24(30-15-31-34(21)14-16(3)38-26(37)29-5-2)39-22-11-10-19(13-20(22)28)32-25(36)33-23(35)12-17-6-8-18(27)9-7-17/h4,6-11,13-15H,5,12H2,1-3H3,(H,29,37)(H2,32,33,35,36)/b16-14+,21-4+.
What are the key properties of [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate?
[(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate has a molecular weight of 540.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[(6E)-6-ethylidene-5-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1,2,4-triazin-1-yl]prop-1-en-2-yl] N-ethylcarbamate is sourced from PubChem (CID 143163732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).