5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine

C28H26FN5O2 — CID 157393306

IUPAC5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESC[C@H]1C2CCC(CC2)[C@@H]1Cc1cc(-c2ccc(-c3ccco3)o2)nc(-c2[nH]nc3ncc(F)cc23)n1
InChIInChI=1S/C28H26FN5O2/c1-15-16-4-6-17(7-5-16)20(15)12-19-13-22(23-8-9-25(36-23)24-3-2-10-35-24)32-28(31-19)26-21-11-18(29)14-30-27(21)34-33-26/h2-3,8-11,13-17,20H,4-7,12H2,1H3,(H,30,33,34)/t15-,16?,17?,20+/m0/s1
InChIKeyPZAPMLKVHCRWRT-MVBPIPQGSA-N
MW483.55 g/mol
LogP6.69
Rot. Bonds5

About 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine

5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 157393306) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID157393306
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESC[C@H]1C2CCC(CC2)[C@@H]1Cc1cc(-c2ccc(-c3ccco3)o2)nc(-c2[nH]nc3ncc(F)cc23)n1
InChIInChI=1S/C28H26FN5O2/c1-15-16-4-6-17(7-5-16)20(15)12-19-13-22(23-8-9-25(36-23)24-3-2-10-35-24)32-28(31-19)26-21-11-18(29)14-30-27(21)34-33-26/h2-3,8-11,13-17,20H,4-7,12H2,1H3,(H,30,33,34)/t15-,16?,17?,20+/m0/s1
InChIKeyPZAPMLKVHCRWRT-MVBPIPQGSA-N
XLogP6.69
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine 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

6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670
2-Ethyl-3-(4-fluorophenyl)-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 8034758
6-(furan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 9505406
3-(4-Fluorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 8030504
N-(4-fluorophenyl)-6-(furan-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 17501846
5-[4-(Dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde
CID 23381183
5-[1-[(2-Fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde
CID 23381195
N'-[4-amino-1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-N,N-dimethylmethanimidamide
CID 23381207
N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 23381209
N'-[1-[(2-fluorophenyl)methyl]-3-(5-formylfuran-2-yl)-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 23381211
1-N'-[3-fluoro-4-[[3-[5-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 24876201

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 157393306) is 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine is C[C@H]1C2CCC(CC2)[C@@H]1Cc1cc(-c2ccc(-c3ccco3)o2)nc(-c2[nH]nc3ncc(F)cc23)n1.
What is the InChIKey of 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is PZAPMLKVHCRWRT-MVBPIPQGSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-15-16-4-6-17(7-5-16)20(15)12-19-13-22(23-8-9-25(36-23)24-3-2-10-35-24)32-28(31-19)26-21-11-18(29)14-30-27(21)34-33-26/h2-3,8-11,13-17,20H,4-7,12H2,1H3,(H,30,33,34)/t15-,16?,17?,20+/m0/s1.
What are the key properties of 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 483.55 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-[5-(furan-2-yl)furan-2-yl]-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 157393306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).