2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide

C22H13ClFN5O — CID 118497180

IUPAC2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide
SMILESN#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H13ClFN5O/c23-18-12-19(24)17(20-8-4-5-9-26-20)11-16(18)22(30)27-21-10-14(13-25)28-29(21)15-6-2-1-3-7-15/h1-12H,(H,27,30)
InChIKeyXQZKGYVNXHXRQJ-UHFFFAOYSA-N
MW417.83 g/mol
LogP4.85
Rot. Bonds4

About 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide

2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide (PubChem CID 118497180) has the molecular formula C22H13ClFN5O and a molecular weight of 417.83 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide
PubChem CID118497180
Molecular FormulaC22H13ClFN5O
Molecular Weight417.83 g/mol
Exact Mass417.08
IUPAC Name2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide
SMILESN#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H13ClFN5O/c23-18-12-19(24)17(20-8-4-5-9-26-20)11-16(18)22(30)27-21-10-14(13-25)28-29(21)15-6-2-1-3-7-15/h1-12H,(H,27,30)
InChIKeyXQZKGYVNXHXRQJ-UHFFFAOYSA-N
XLogP4.85
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide
CID 126962821
2-chloro-N-[3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide
CID 126962830
ethyl 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 118497085
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxycyclobutyl)-1-phenylpyrazole-3-carboxamide
CID 126962740
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide
CID 126963097
N-[(2S)-1-aminopropan-2-yl]-5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126963152
2-chloro-4-fluoro-N-[3-(3-hydroxypyrrolidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
CID 126962818
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,3-oxazol-2-ylmethyl)-1-phenylpyrazole-3-carboxamide
CID 126962741
2-[[5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carbonyl]amino]ethyl dihydrogen phosphate
CID 118497020
2-chloro-4-fluoro-N-[3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
CID 126962866
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-[1-(1-methylimidazol-4-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 126962853
N-(1-acetylpiperidin-4-yl)-5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126963131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide (CID 118497180) is 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide is N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide?
The InChIKey is XQZKGYVNXHXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN5O/c23-18-12-19(24)17(20-8-4-5-9-26-20)11-16(18)22(30)27-21-10-14(13-25)28-29(21)15-6-2-1-3-7-15/h1-12H,(H,27,30).
What are the key properties of 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide?
2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide has a molecular weight of 417.83 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 118497180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).