N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C19H20ClFN4O — CID 30430326

IUPACN-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(Cl)cc2F)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H20ClFN4O/c1-10(2)17-8-13(14-9-22-25(11(3)4)18(14)23-17)19(26)24-16-6-5-12(20)7-15(16)21/h5-11H,1-4H3,(H,24,26)
InChIKeyXYUOZWDMFGHOLH-UHFFFAOYSA-N
MW374.85 g/mol
LogP5.18
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30430326) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30430326
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(Cl)cc2F)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H20ClFN4O/c1-10(2)17-8-13(14-9-22-25(11(3)4)18(14)23-17)19(26)24-16-6-5-12(20)7-15(16)21/h5-11H,1-4H3,(H,24,26)
InChIKeyXYUOZWDMFGHOLH-UHFFFAOYSA-N
XLogP5.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.85
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30426277
N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31957554
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120882850
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 46623729
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120882849
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46636123
N-[2-(4-methylpiperazin-1-yl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17476474
[2-(2,5-dichloroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179679
[1-(4-chloroanilino)-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 46796995
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30438173

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 30430326) is N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2F)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XYUOZWDMFGHOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-10(2)17-8-13(14-9-22-25(11(3)4)18(14)23-17)19(26)24-16-6-5-12(20)7-15(16)21/h5-11H,1-4H3,(H,24,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30430326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).