methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C23H25FN4O4 — CID 126743252

IUPACmethyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCOCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H25FN4O4/c1-13(2)20-19-17(26-22(29)14-8-10-32-11-9-14)12-18(23(30)31-3)25-21(19)28(27-20)16-6-4-15(24)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,29)
InChIKeyHRYZNFMNDAEYLH-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.83
Rot. Bonds5

About methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126743252) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126743252
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Namemethyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCOCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H25FN4O4/c1-13(2)20-19-17(26-22(29)14-8-10-32-11-9-14)12-18(23(30)31-3)25-21(19)28(27-20)16-6-4-15(24)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,29)
InChIKeyHRYZNFMNDAEYLH-UHFFFAOYSA-N
XLogP3.83
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate 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

methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
CID 126753168
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
methyl 1-(4-fluorophenyl)-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742050
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742570
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741598
4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 175083925
4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 172861705
6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 44823468
4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743725
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741878
1-(3-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743259
4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126743252) is methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(NC(=O)C2CCOCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is HRYZNFMNDAEYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-13(2)20-19-17(26-22(29)14-8-10-32-11-9-14)12-18(23(30)31-3)25-21(19)28(27-20)16-6-4-15(24)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,29).
What are the key properties of methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 440.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126743252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).