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

C23H22FN5O2 — CID 143965254

IUPAC1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(CO)c1
InChIInChI=1S/C23H22FN5O2/c1-2-3-21(16-8-15(14-30)9-25-10-16)28-23(31)20-11-26-13-22-19(20)12-27-29(22)18-6-4-17(24)5-7-18/h4-13,21,30H,2-3,14H2,1H3,(H,28,31)
InChIKeyLHRMBRWZLDHMMO-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.72
Rot. Bonds7

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

1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 143965254) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID143965254
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(CO)c1
InChIInChI=1S/C23H22FN5O2/c1-2-3-21(16-8-15(14-30)9-25-10-16)28-23(31)20-11-26-13-22-19(20)12-27-29(22)18-6-4-17(24)5-7-18/h4-13,21,30H,2-3,14H2,1H3,(H,28,31)
InChIKeyLHRMBRWZLDHMMO-UHFFFAOYSA-N
XLogP3.72
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 143965254) is 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(CO)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is LHRMBRWZLDHMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-2-3-21(16-8-15(14-30)9-25-10-16)28-23(31)20-11-26-13-22-19(20)12-27-29(22)18-6-4-17(24)5-7-18/h4-13,21,30H,2-3,14H2,1H3,(H,28,31).
What are the key properties of 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-[5-(hydroxymethyl)-3-pyridinyl]butyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 143965254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).