N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C23H21FN6O2 — CID 159075828

IUPACN-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(C)C(=O)c1ccc(C(N)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H21FN6O2/c1-13(2)21(31)19-8-3-14(9-27-19)22(25)29-23(32)18-10-26-12-20-17(18)11-28-30(20)16-6-4-15(24)5-7-16/h3-13,22H,25H2,1-2H3,(H,29,32)
InChIKeyKAFROTVTODOGDW-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.18
Rot. Bonds6

About N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 159075828) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID159075828
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC(C)C(=O)c1ccc(C(N)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H21FN6O2/c1-13(2)21(31)19-8-3-14(9-27-19)22(25)29-23(32)18-10-26-12-20-17(18)11-28-30(20)16-6-4-15(24)5-7-16/h3-13,22H,25H2,1-2H3,(H,29,32)
InChIKeyKAFROTVTODOGDW-UHFFFAOYSA-N
XLogP3.18
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 159075828) is N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC(C)C(=O)c1ccc(C(N)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1.
What is the InChIKey of N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is KAFROTVTODOGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-13(2)21(31)19-8-3-14(9-27-19)22(25)29-23(32)18-10-26-12-20-17(18)11-28-30(20)16-6-4-15(24)5-7-16/h3-13,22H,25H2,1-2H3,(H,29,32).
What are the key properties of N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 159075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).