N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide

C20H17FN6O2 — CID 135329551

IUPACN-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)c(OC2(Nc3cccnc3)N=Cc3cccn3N2)c1
InChIInChI=1S/C20H17FN6O2/c1-2-19(28)24-14-7-8-17(21)18(11-14)29-20(25-15-5-3-9-22-12-15)23-13-16-6-4-10-27(16)26-20/h2-13,25-26H,1H2,(H,24,28)
InChIKeyVKIYCSOQZVDSMZ-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.93
Rot. Bonds6

About N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide

N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide (PubChem CID 135329551) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide
PubChem CID135329551
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC NameN-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)c(OC2(Nc3cccnc3)N=Cc3cccn3N2)c1
InChIInChI=1S/C20H17FN6O2/c1-2-19(28)24-14-7-8-17(21)18(11-14)29-20(25-15-5-3-9-22-12-15)23-13-16-6-4-10-27(16)26-20/h2-13,25-26H,1H2,(H,24,28)
InChIKeyVKIYCSOQZVDSMZ-UHFFFAOYSA-N
XLogP2.93
TPSA92.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide 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

1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
N-[3-(2,5-dichloropyrimidin-4-yl)oxy-4-fluorophenyl]prop-2-enamide
CID 163280499
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
N-[4-fluoro-3-[2-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]prop-2-enamide
CID 135329549
N-[4-[(2-chloro-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449544
N-[3-fluoro-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]prop-2-enamide
CID 167449682
N-[4-[(2-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449635
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide?
The IUPAC name of N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide (CID 135329551) is N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(F)c(OC2(Nc3cccnc3)N=Cc3cccn3N2)c1.
What is the InChIKey of N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide?
The InChIKey is VKIYCSOQZVDSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-2-19(28)24-14-7-8-17(21)18(11-14)29-20(25-15-5-3-9-22-12-15)23-13-16-6-4-10-27(16)26-20/h2-13,25-26H,1H2,(H,24,28).
What are the key properties of N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide?
N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide has a molecular weight of 392.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[2-(pyridin-3-ylamino)-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl]oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 135329551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).