4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine

C12H5ClF4N4 — CID 155933745

IUPAC4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCn1nc(-c2c(F)c(F)nc(F)c2F)c2c(Cl)ccnc21
InChIInChI=1S/C12H5ClF4N4/c1-21-12-5(4(13)2-3-18-12)9(20-21)6-7(14)10(16)19-11(17)8(6)15/h2-3H,1H3
InChIKeyFMPJJILMHNROPT-UHFFFAOYSA-N
MW316.65 g/mol
LogP3.24
Rot. Bonds1

About 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine

4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine (PubChem CID 155933745) has the molecular formula C12H5ClF4N4 and a molecular weight of 316.65 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine
PubChem CID155933745
Molecular FormulaC12H5ClF4N4
Molecular Weight316.65 g/mol
Exact Mass316.01
IUPAC Name4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCn1nc(-c2c(F)c(F)nc(F)c2F)c2c(Cl)ccnc21
InChIInChI=1S/C12H5ClF4N4/c1-21-12-5(4(13)2-3-18-12)9(20-21)6-7(14)10(16)19-11(17)8(6)15/h2-3H,1H3
InChIKeyFMPJJILMHNROPT-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
3-chloro-4-fluoro-5-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)benzonitrile
CID 86280685
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine (CID 155933745) is 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine is Cn1nc(-c2c(F)c(F)nc(F)c2F)c2c(Cl)ccnc21.
What is the InChIKey of 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine?
The InChIKey is FMPJJILMHNROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF4N4/c1-21-12-5(4(13)2-3-18-12)9(20-21)6-7(14)10(16)19-11(17)8(6)15/h2-3H,1H3.
What are the key properties of 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine?
4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine has a molecular weight of 316.65 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 155933745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).