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

C27H20ClFN6O2 — CID 126962821

IUPAC2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide
SMILESCC1(C#N)CN(C(=O)c2cc(NC(=O)c3cc(-c4ccccn4)c(F)cc3Cl)n(-c3ccccc3)n2)C1
InChIInChI=1S/C27H20ClFN6O2/c1-27(14-30)15-34(16-27)26(37)23-13-24(35(33-23)17-7-3-2-4-8-17)32-25(36)18-11-19(21(29)12-20(18)28)22-9-5-6-10-31-22/h2-13H,15-16H2,1H3,(H,32,36)
InChIKeyVAGGAKCXAFRHLY-UHFFFAOYSA-N
MW514.95 g/mol
LogP4.96
Rot. Bonds5

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

2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide (PubChem CID 126962821) has the molecular formula C27H20ClFN6O2 and a molecular weight of 514.95 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide
PubChem CID126962821
Molecular FormulaC27H20ClFN6O2
Molecular Weight514.95 g/mol
Exact Mass514.13
IUPAC Name2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide
SMILESCC1(C#N)CN(C(=O)c2cc(NC(=O)c3cc(-c4ccccn4)c(F)cc3Cl)n(-c3ccccc3)n2)C1
InChIInChI=1S/C27H20ClFN6O2/c1-27(14-30)15-34(16-27)26(37)23-13-24(35(33-23)17-7-3-2-4-8-17)32-25(36)18-11-19(21(29)12-20(18)28)22-9-5-6-10-31-22/h2-13H,15-16H2,1H3,(H,32,36)
InChIKeyVAGGAKCXAFRHLY-UHFFFAOYSA-N
XLogP4.96
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.95
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide
CID 126962830
2-chloro-4-fluoro-N-[3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
CID 126962866
2-chloro-4-fluoro-N-[3-(3-hydroxypyrrolidine-1-carbonyl)-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
CID 126962818
2-chloro-N-(3-cyano-1-phenylpyrazol-5-yl)-4-fluoro-5-pyridin-2-ylbenzamide
CID 118497180
N-[3-[3-[acetyl(methyl)amino]pyrrolidine-1-carbonyl]-1-phenylpyrazol-5-yl]-2-chloro-4-fluoro-5-pyridin-2-ylbenzamide
CID 126963139
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(4-hydroxy-4-methylcyclohexyl)-1-phenylpyrazole-3-carboxamide
CID 126962763
ethyl 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 118497085
N-(1-acetylpiperidin-4-yl)-5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126963131
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxycyclobutyl)-1-phenylpyrazole-3-carboxamide
CID 126962740
N-[(2S)-1-aminopropan-2-yl]-5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126963152
5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-[1-(1-methylimidazol-4-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 126962853
2-chloro-4-fluoro-N-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-5-pyridin-2-ylbenzamide
CID 126962846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide (CID 126962821) is 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide is CC1(C#N)CN(C(=O)c2cc(NC(=O)c3cc(-c4ccccn4)c(F)cc3Cl)n(-c3ccccc3)n2)C1.
What is the InChIKey of 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide?
The InChIKey is VAGGAKCXAFRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClFN6O2/c1-27(14-30)15-34(16-27)26(37)23-13-24(35(33-23)17-7-3-2-4-8-17)32-25(36)18-11-19(21(29)12-20(18)28)22-9-5-6-10-31-22/h2-13H,15-16H2,1H3,(H,32,36).
What are the key properties of 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide?
2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide has a molecular weight of 514.95 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-cyano-3-methylazetidine-1-carbonyl)-1-phenylpyrazol-5-yl]-4-fluoro-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 126962821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).