1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H26FN5O — CID 59278408

IUPAC1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C)C1
InChIInChI=1S/C22H26FN5O/c1-3-20(15-5-4-10-27(2)14-15)26-22(29)19-11-24-13-21-18(19)12-25-28(21)17-8-6-16(23)7-9-17/h6-9,11-13,15,20H,3-5,10,14H2,1-2H3,(H,26,29)
InChIKeyNIYVAFTVMSJYCB-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.41
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278408) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278408
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C)C1
InChIInChI=1S/C22H26FN5O/c1-3-20(15-5-4-10-27(2)14-15)26-22(29)19-11-24-13-21-18(19)12-25-28(21)17-8-6-16(23)7-9-17/h6-9,11-13,15,20H,3-5,10,14H2,1-2H3,(H,26,29)
InChIKeyNIYVAFTVMSJYCB-UHFFFAOYSA-N
XLogP3.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278408) is 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is NIYVAFTVMSJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-3-20(15-5-4-10-27(2)14-15)26-22(29)19-11-24-13-21-18(19)12-25-28(21)17-8-6-16(23)7-9-17/h6-9,11-13,15,20H,3-5,10,14H2,1-2H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(1-methylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).