N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C22H19BrFN5O — CID 59278424

IUPACN-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C22H19BrFN5O/c1-2-3-20(14-8-15(23)10-25-9-14)28-22(30)19-11-26-13-21-18(19)12-27-29(21)17-6-4-16(24)5-7-17/h4-13,20H,2-3H2,1H3,(H,28,30)
InChIKeyJLAXCILNSIESMI-UHFFFAOYSA-N
MW468.33 g/mol
LogP4.99
Rot. Bonds6

About N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278424) has the molecular formula C22H19BrFN5O and a molecular weight of 468.33 g/mol. Its IUPAC name is N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278424
Molecular FormulaC22H19BrFN5O
Molecular Weight468.33 g/mol
Exact Mass467.08
IUPAC NameN-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C22H19BrFN5O/c1-2-3-20(14-8-15(23)10-25-9-14)28-22(30)19-11-26-13-21-18(19)12-27-29(21)17-6-4-16(24)5-7-17/h4-13,20H,2-3H2,1H3,(H,28,30)
InChIKeyJLAXCILNSIESMI-UHFFFAOYSA-N
XLogP4.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278424) is N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(Br)c1.
What is the InChIKey of N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is JLAXCILNSIESMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN5O/c1-2-3-20(14-8-15(23)10-25-9-14)28-22(30)19-11-26-13-21-18(19)12-27-29(21)17-6-4-16(24)5-7-17/h4-13,20H,2-3H2,1H3,(H,28,30).
What are the key properties of N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 468.33 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).