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

C20H13Cl2FN4O — CID 44891823

IUPAC4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C20H13Cl2FN4O/c1-11-17-18(22)16(20(28)25-14-6-2-12(21)3-7-14)10-24-19(17)27(26-11)15-8-4-13(23)5-9-15/h2-10H,1H3,(H,25,28)
InChIKeyKMUQVKODNBAUQA-UHFFFAOYSA-N
MW415.26 g/mol
LogP5.43
Rot. Bonds3

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

4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 44891823) has the molecular formula C20H13Cl2FN4O and a molecular weight of 415.26 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID44891823
Molecular FormulaC20H13Cl2FN4O
Molecular Weight415.26 g/mol
Exact Mass414.05
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C20H13Cl2FN4O/c1-11-17-18(22)16(20(28)25-14-6-2-12(21)3-7-14)10-24-19(17)27(26-11)15-8-4-13(23)5-9-15/h2-10H,1H3,(H,25,28)
InChIKeyKMUQVKODNBAUQA-UHFFFAOYSA-N
XLogP5.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.26
LogP ≤ 55.43
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-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 44891823) is 4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is KMUQVKODNBAUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN4O/c1-11-17-18(22)16(20(28)25-14-6-2-12(21)3-7-14)10-24-19(17)27(26-11)15-8-4-13(23)5-9-15/h2-10H,1H3,(H,25,28).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 415.26 g/mol, XLogP of 5.43, 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-chlorophenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 44891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).