N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C19H15BrFN5O2 — CID 59278216

IUPACN-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(Br)no1
InChIInChI=1S/C19H15BrFN5O2/c1-2-15(17-7-18(20)25-28-17)24-19(27)14-8-22-10-16-13(14)9-23-26(16)12-5-3-11(21)4-6-12/h3-10,15H,2H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyYXOYURZBOZLXDS-HNNXBMFYSA-N
MW444.26 g/mol
LogP4.19
Rot. Bonds5

About N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278216) has the molecular formula C19H15BrFN5O2 and a molecular weight of 444.26 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278216
Molecular FormulaC19H15BrFN5O2
Molecular Weight444.26 g/mol
Exact Mass443.04
IUPAC NameN-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(Br)no1
InChIInChI=1S/C19H15BrFN5O2/c1-2-15(17-7-18(20)25-28-17)24-19(27)14-8-22-10-16-13(14)9-23-26(16)12-5-3-11(21)4-6-12/h3-10,15H,2H2,1H3,(H,24,27)/t15-/m0/s1
InChIKeyYXOYURZBOZLXDS-HNNXBMFYSA-N
XLogP4.19
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
CID 165415081
N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
CID 165415163
5-[[6-(4-Fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 155399969
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,2-oxazole-3-carboxamide
CID 156596084
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136964
N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45137247
1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45137396
1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid(6-bromopyridin-3-ylmethyl)-amide
CID 45138009
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138609
N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138756
N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45139044
N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45139181

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278216) is N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(Br)no1.
What is the InChIKey of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is YXOYURZBOZLXDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15BrFN5O2/c1-2-15(17-7-18(20)25-28-17)24-19(27)14-8-22-10-16-13(14)9-23-26(16)12-5-3-11(21)4-6-12/h3-10,15H,2H2,1H3,(H,24,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 444.26 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).