5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

C17H14ClFN4O4 — CID 123172589

IUPAC5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESO=C(O)c1cn2ncnc(Nc3ccc(F)cc3OC3CCOC3)c2c1Cl
InChIInChI=1S/C17H14ClFN4O4/c18-14-11(17(24)25)6-23-15(14)16(20-8-21-23)22-12-2-1-9(19)5-13(12)27-10-3-4-26-7-10/h1-2,5-6,8,10H,3-4,7H2,(H,24,25)(H,20,21,22)
InChIKeyVYMVCDYQXFMMDE-UHFFFAOYSA-N
MW392.77 g/mol
LogP3.13
Rot. Bonds5

About 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (PubChem CID 123172589) has the molecular formula C17H14ClFN4O4 and a molecular weight of 392.77 g/mol. Its IUPAC name is 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
PubChem CID123172589
Molecular FormulaC17H14ClFN4O4
Molecular Weight392.77 g/mol
Exact Mass392.07
IUPAC Name5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
SMILESO=C(O)c1cn2ncnc(Nc3ccc(F)cc3OC3CCOC3)c2c1Cl
InChIInChI=1S/C17H14ClFN4O4/c18-14-11(17(24)25)6-23-15(14)16(20-8-21-23)22-12-2-1-9(19)5-13(12)27-10-3-4-26-7-10/h1-2,5-6,8,10H,3-4,7H2,(H,24,25)(H,20,21,22)
InChIKeyVYMVCDYQXFMMDE-UHFFFAOYSA-N
XLogP3.13
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid 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-[dimethyl(oxo)-λ6-sulfanylidene]-4-[4-fluoro-2-[(3R)-1-methylsulfonylpiperidin-3-yl]oxyanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 118189898
5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine
CID 129116287
4-[2-[[(3aR,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluoroanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;1,4-oxathiane
CID 144864891
methane;methyl 4-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 159191106
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 24765447
N-(ethyl-methyl-oxo-λ6-sulfanylidene)-4-[4-fluoro-2-[(3R)-1-methylsulfonylpiperidin-3-yl]oxyanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 118189911
4-[4-fluoro-2-[(1R)-1-(3-methyl-1,2-oxazol-5-yl)ethoxy]anilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 118189882
4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-4-fluoroanilino]-N-(ethylidene-methyl-oxo-λ6-sulfanyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 123362473
(2,5-dioxopyrrolidin-1-yl) 4-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413023
N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 53373805
4-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluoroanilino]-5-methyl-N-(1-oxothiolan-1-ylidene)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 118189851
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methoxyquinazolin-4-amine
CID 90140639

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The IUPAC name of 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CID 123172589) is 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid.
What is the SMILES notation for 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The canonical SMILES for 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is O=C(O)c1cn2ncnc(Nc3ccc(F)cc3OC3CCOC3)c2c1Cl.
What is the InChIKey of 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
The InChIKey is VYMVCDYQXFMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O4/c18-14-11(17(24)25)6-23-15(14)16(20-8-21-23)22-12-2-1-9(19)5-13(12)27-10-3-4-26-7-10/h1-2,5-6,8,10H,3-4,7H2,(H,24,25)(H,20,21,22).
What are the key properties of 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid?
5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid has a molecular weight of 392.77 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-fluoro-2-(oxolan-3-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid is sourced from PubChem (CID 123172589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).