N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C25H23FN4O3 — CID 18570579

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C25H23FN4O3/c26-18-10-8-17(9-11-18)13-27-24(31)21-15-29(14-20-7-4-12-33-20)16-22-23(21)28-30(25(22)32)19-5-2-1-3-6-19/h1-3,5-6,8-11,15-16,20H,4,7,12-14H2,(H,27,31)
InChIKeyXHKHIOMQTKDWKW-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.39
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570579) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570579
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C25H23FN4O3/c26-18-10-8-17(9-11-18)13-27-24(31)21-15-29(14-20-7-4-12-33-20)16-22-23(21)28-30(25(22)32)19-5-2-1-3-6-19/h1-3,5-6,8-11,15-16,20H,4,7,12-14H2,(H,27,31)
InChIKeyXHKHIOMQTKDWKW-UHFFFAOYSA-N
XLogP3.39
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570579) is N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is XHKHIOMQTKDWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-18-10-8-17(9-11-18)13-27-24(31)21-15-29(14-20-7-4-12-33-20)16-22-23(21)28-30(25(22)32)19-5-2-1-3-6-19/h1-3,5-6,8-11,15-16,20H,4,7,12-14H2,(H,27,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).