N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H21FN4O — CID 134804041

IUPACN-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CCCCC3)cc(-c3ccccc3F)nc21
InChIInChI=1S/C20H21FN4O/c1-25-19-16(12-22-25)15(20(26)23-13-7-3-2-4-8-13)11-18(24-19)14-9-5-6-10-17(14)21/h5-6,9-13H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyXWVKHFTZLURNGN-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.84
Rot. Bonds3

About N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134804041) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134804041
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CCCCC3)cc(-c3ccccc3F)nc21
InChIInChI=1S/C20H21FN4O/c1-25-19-16(12-22-25)15(20(26)23-13-7-3-2-4-8-13)11-18(24-19)14-9-5-6-10-17(14)21/h5-6,9-13H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyXWVKHFTZLURNGN-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134804041) is N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NC3CCCCC3)cc(-c3ccccc3F)nc21.
What is the InChIKey of N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XWVKHFTZLURNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-25-19-16(12-22-25)15(20(26)23-13-7-3-2-4-8-13)11-18(24-19)14-9-5-6-10-17(14)21/h5-6,9-13H,2-4,7-8H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134804041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).