N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C20H18BrFN4O — CID 57404749

IUPACN-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H18BrFN4O/c21-15-5-3-14(4-6-15)12-23-20(27)25-11-1-2-18-19(25)13-24-26(18)17-9-7-16(22)8-10-17/h3-10,13H,1-2,11-12H2,(H,23,27)
InChIKeyWZCLLTIVOUYGOM-UHFFFAOYSA-N
MW429.29 g/mol
LogP4.44
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57404749) has the molecular formula C20H18BrFN4O and a molecular weight of 429.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57404749
Molecular FormulaC20H18BrFN4O
Molecular Weight429.29 g/mol
Exact Mass428.06
IUPAC NameN-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H18BrFN4O/c21-15-5-3-14(4-6-15)12-23-20(27)25-11-1-2-18-19(25)13-24-26(18)17-9-7-16(22)8-10-17/h3-10,13H,1-2,11-12H2,(H,23,27)
InChIKeyWZCLLTIVOUYGOM-UHFFFAOYSA-N
XLogP4.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151259440
1-[(4-bromophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 24768217
N-(3-ethylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483861
3-(4-fluorophenyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483971
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483989
N-(4-fluoro-3-methylphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484031
3-(4-fluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484153
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
3-(4-fluorophenyl)-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484307
N-(2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484347
N-(3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484428
N,3-bis(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484534

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57404749) is N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is O=C(NCc1ccc(Br)cc1)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is WZCLLTIVOUYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O/c21-15-5-3-14(4-6-15)12-23-20(27)25-11-1-2-18-19(25)13-24-26(18)17-9-7-16(22)8-10-17/h3-10,13H,1-2,11-12H2,(H,23,27).
What are the key properties of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 429.29 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57404749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).