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

C23H21FN4O3 — CID 18570449

IUPACN-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccc(F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C23H21FN4O3/c1-31-12-11-27-14-19(22(29)25-13-16-7-9-17(24)10-8-16)21-20(15-27)23(30)28(26-21)18-5-3-2-4-6-18/h2-10,14-15H,11-13H2,1H3,(H,25,29)
InChIKeyFDDSONGECVPCLO-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.85
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570449) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570449
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccc(F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C23H21FN4O3/c1-31-12-11-27-14-19(22(29)25-13-16-7-9-17(24)10-8-16)21-20(15-27)23(30)28(26-21)18-5-3-2-4-6-18/h2-10,14-15H,11-13H2,1H3,(H,25,29)
InChIKeyFDDSONGECVPCLO-UHFFFAOYSA-N
XLogP2.85
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.85
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]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570449) is N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is COCCn1cc(C(=O)NCc2ccc(F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is FDDSONGECVPCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-31-12-11-27-14-19(22(29)25-13-16-7-9-17(24)10-8-16)21-20(15-27)23(30)28(26-21)18-5-3-2-4-6-18/h2-10,14-15H,11-13H2,1H3,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).