N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C18H19FN4O — CID 134802954

IUPACN-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cccc(F)c2)nc2c1cnn2C
InChIInChI=1S/C18H19FN4O/c1-4-11(2)21-18(24)14-9-16(12-6-5-7-13(19)8-12)22-17-15(14)10-20-23(17)3/h5-11H,4H2,1-3H3,(H,21,24)
InChIKeyUDHYLCZWORBFKN-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.30
Rot. Bonds4

About N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802954) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802954
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cccc(F)c2)nc2c1cnn2C
InChIInChI=1S/C18H19FN4O/c1-4-11(2)21-18(24)14-9-16(12-6-5-7-13(19)8-12)22-17-15(14)10-20-23(17)3/h5-11H,4H2,1-3H3,(H,21,24)
InChIKeyUDHYLCZWORBFKN-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802954) is N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is CCC(C)NC(=O)c1cc(-c2cccc(F)c2)nc2c1cnn2C.
What is the InChIKey of N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UDHYLCZWORBFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-4-11(2)21-18(24)14-9-16(12-6-5-7-13(19)8-12)22-17-15(14)10-20-23(17)3/h5-11H,4H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).