4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C21H15ClF2N4O — CID 7627274

IUPAC4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(F)c(F)c4)cnc32)cc1
InChIInChI=1S/C21H15ClF2N4O/c1-11-3-6-14(7-4-11)28-20-18(12(2)27-28)19(22)15(10-25-20)21(29)26-13-5-8-16(23)17(24)9-13/h3-10H,1-2H3,(H,26,29)
InChIKeyFHZSCDLYOMSYEE-UHFFFAOYSA-N
MW412.83 g/mol
LogP5.22
Rot. Bonds3

About 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7627274) has the molecular formula C21H15ClF2N4O and a molecular weight of 412.83 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7627274
Molecular FormulaC21H15ClF2N4O
Molecular Weight412.83 g/mol
Exact Mass412.09
IUPAC Name4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(F)c(F)c4)cnc32)cc1
InChIInChI=1S/C21H15ClF2N4O/c1-11-3-6-14(7-4-11)28-20-18(12(2)27-28)19(22)15(10-25-20)21(29)26-13-5-8-16(23)17(24)9-13/h3-10H,1-2H3,(H,26,29)
InChIKeyFHZSCDLYOMSYEE-UHFFFAOYSA-N
XLogP5.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.83
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-N-(2,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627271
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031
4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626738
4-chloro-3-methyl-N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627315
4-chloro-N-[(4-fluorophenyl)methyl]-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627313
4-chloro-1-(4-fluorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626855
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 145130823
4-chloro-3-methyl-N-(4-nitrophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626693
1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253078
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 7627274) is 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(-n2nc(C)c3c(Cl)c(C(=O)Nc4ccc(F)c(F)c4)cnc32)cc1.
What is the InChIKey of 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is FHZSCDLYOMSYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N4O/c1-11-3-6-14(7-4-11)28-20-18(12(2)27-28)19(22)15(10-25-20)21(29)26-13-5-8-16(23)17(24)9-13/h3-10H,1-2H3,(H,26,29).
What are the key properties of 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 412.83 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7627274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).