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

C23H26FN5O2 — CID 45137541

IUPACN-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C23H26FN5O2/c1-3-21(16-8-10-28(11-9-16)15(2)30)27-23(31)20-12-25-14-22-19(20)13-26-29(22)18-6-4-17(24)5-7-18/h4-7,12-14,16,21H,3,8-11H2,1-2H3,(H,27,31)
InChIKeyDTNWTWXBIUXXPB-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.33
Rot. Bonds5

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

N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45137541) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45137541
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C23H26FN5O2/c1-3-21(16-8-10-28(11-9-16)15(2)30)27-23(31)20-12-25-14-22-19(20)13-26-29(22)18-6-4-17(24)5-7-18/h4-7,12-14,16,21H,3,8-11H2,1-2H3,(H,27,31)
InChIKeyDTNWTWXBIUXXPB-UHFFFAOYSA-N
XLogP3.33
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45137541) is N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(C)=O)CC1.
What is the InChIKey of N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is DTNWTWXBIUXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-3-21(16-8-10-28(11-9-16)15(2)30)27-23(31)20-12-25-14-22-19(20)13-26-29(22)18-6-4-17(24)5-7-18/h4-7,12-14,16,21H,3,8-11H2,1-2H3,(H,27,31).
What are the key properties of N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45137541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).