N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C21H16F2N4O2 — CID 16820373

IUPACN-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C21H16F2N4O2/c1-2-26-11-15(20(28)24-13-8-9-17(22)18(23)10-13)19-16(12-26)21(29)27(25-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,24,28)
InChIKeyYXQBKZBEBZQCQN-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.69
Rot. Bonds4

About N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 16820373) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID16820373
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC NameN-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C21H16F2N4O2/c1-2-26-11-15(20(28)24-13-8-9-17(22)18(23)10-13)19-16(12-26)21(29)27(25-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,24,28)
InChIKeyYXQBKZBEBZQCQN-UHFFFAOYSA-N
XLogP3.69
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 16820373) is N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is YXQBKZBEBZQCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-2-26-11-15(20(28)24-13-8-9-17(22)18(23)10-13)19-16(12-26)21(29)27(25-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,24,28).
What are the key properties of N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 16820373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).