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

C24H21FN4O3 — CID 18570592

IUPACN-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C24H21FN4O3/c25-16-6-4-7-17(12-16)26-23(30)20-14-28(13-19-10-5-11-32-19)15-21-22(20)27-29(24(21)31)18-8-2-1-3-9-18/h1-4,6-9,12,14-15,19H,5,10-11,13H2,(H,26,30)
InChIKeyVPGZFNXCQNDSRF-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.71
Rot. Bonds5

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

N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570592) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570592
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C24H21FN4O3/c25-16-6-4-7-17(12-16)26-23(30)20-14-28(13-19-10-5-11-32-19)15-21-22(20)27-29(24(21)31)18-8-2-1-3-9-18/h1-4,6-9,12,14-15,19H,5,10-11,13H2,(H,26,30)
InChIKeyVPGZFNXCQNDSRF-UHFFFAOYSA-N
XLogP3.71
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570592) is N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is O=C(Nc1cccc(F)c1)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2.
What is the InChIKey of N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is VPGZFNXCQNDSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-16-6-4-7-17(12-16)26-23(30)20-14-28(13-19-10-5-11-32-19)15-21-22(20)27-29(24(21)31)18-8-2-1-3-9-18/h1-4,6-9,12,14-15,19H,5,10-11,13H2,(H,26,30).
What are the key properties of N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).