methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate

C20H17F2N7O3 — CID 136622667

IUPACmethyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nnc(-c2nn(Cc3ncccc3F)c3ncc(F)cc23)[nH]c1=O
InChIInChI=1S/C20H17F2N7O3/c1-20(2,19(31)32-3)15-18(30)25-16(27-26-15)14-11-7-10(21)8-24-17(11)29(28-14)9-13-12(22)5-4-6-23-13/h4-8H,9H2,1-3H3,(H,25,27,30)
InChIKeyLIBQMXCJDRPZBZ-UHFFFAOYSA-N
MW441.40 g/mol
LogP1.75
Rot. Bonds5

About methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate

methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate (PubChem CID 136622667) has the molecular formula C20H17F2N7O3 and a molecular weight of 441.40 g/mol. Its IUPAC name is methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
PubChem CID136622667
Molecular FormulaC20H17F2N7O3
Molecular Weight441.40 g/mol
Exact Mass441.14
IUPAC Namemethyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nnc(-c2nn(Cc3ncccc3F)c3ncc(F)cc23)[nH]c1=O
InChIInChI=1S/C20H17F2N7O3/c1-20(2,19(31)32-3)15-18(30)25-16(27-26-15)14-11-7-10(21)8-24-17(11)29(28-14)9-13-12(22)5-4-6-23-13/h4-8H,9H2,1-3H3,(H,25,27,30)
InChIKeyLIBQMXCJDRPZBZ-UHFFFAOYSA-N
XLogP1.75
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate 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

ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
CID 136634892
N-[2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-6-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]acetamide
CID 134433909
ethyl 2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpent-4-enoate
CID 136634806
2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319793
methyl 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66614167
4-(3,3-difluorobutylamino)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 123524477
N-(2-amino-4,4-difluoro-2-methylbutyl)-2-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319620
5-(1,1-difluoro-2-hydroxyethyl)-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
CID 169021070
methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
CID 66634902
(4R)-4-acetyl-10-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-oxa-2,9,11-triazatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-one
CID 170092926
4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;methyl 2-[cyano(isocyano)methyl]-3,3,3-trifluoro-2-methylpropanoate
CID 158905991
4-(difluoromethyl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrimidin-6-one
CID 137082204

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate (CID 136622667) is methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate is COC(=O)C(C)(C)c1nnc(-c2nn(Cc3ncccc3F)c3ncc(F)cc23)[nH]c1=O.
What is the InChIKey of methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?
The InChIKey is LIBQMXCJDRPZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O3/c1-20(2,19(31)32-3)15-18(30)25-16(27-26-15)14-11-7-10(21)8-24-17(11)29(28-14)9-13-12(22)5-4-6-23-13/h4-8H,9H2,1-3H3,(H,25,27,30).
What are the key properties of methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?
methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate has a molecular weight of 441.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[5-fluoro-1-[(3-fluoro-2-pyridinyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate is sourced from PubChem (CID 136622667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).