4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H14ClFN4O — CID 7423437

IUPAC4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12
InChIInChI=1S/C20H14ClFN4O/c1-12-17-18(21)16(20(27)24-14-9-7-13(22)8-10-14)11-23-19(17)26(25-12)15-5-3-2-4-6-15/h2-11H,1H3,(H,24,27)
InChIKeyYIWODCFCIMUUSR-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.77
Rot. Bonds3

About 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7423437) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7423437
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12
InChIInChI=1S/C20H14ClFN4O/c1-12-17-18(21)16(20(27)24-14-9-7-13(22)8-10-14)11-23-19(17)26(25-12)15-5-3-2-4-6-15/h2-11H,1H3,(H,24,27)
InChIKeyYIWODCFCIMUUSR-UHFFFAOYSA-N
XLogP4.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7423437) is 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YIWODCFCIMUUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-12-17-18(21)16(20(27)24-14-9-7-13(22)8-10-14)11-23-19(17)26(25-12)15-5-3-2-4-6-15/h2-11H,1H3,(H,24,27).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7423437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).