4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C23H16F3N5O2 — CID 162651287

IUPAC4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2ccc(F)c(C(=O)Nc3cn[nH]c3C(=O)Nc3ccc(F)cc3)c2F)cn1
InChIInChI=1S/C23H16F3N5O2/c1-12-2-3-13(10-27-12)16-8-9-17(25)19(20(16)26)22(32)30-18-11-28-31-21(18)23(33)29-15-6-4-14(24)5-7-15/h2-11H,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyLUOJOSNFTABOEQ-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.70
Rot. Bonds5

About 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 162651287) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID162651287
Molecular FormulaC23H16F3N5O2
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC Name4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2ccc(F)c(C(=O)Nc3cn[nH]c3C(=O)Nc3ccc(F)cc3)c2F)cn1
InChIInChI=1S/C23H16F3N5O2/c1-12-2-3-13(10-27-12)16-8-9-17(25)19(20(16)26)22(32)30-18-11-28-31-21(18)23(33)29-15-6-4-14(24)5-7-15/h2-11H,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyLUOJOSNFTABOEQ-UHFFFAOYSA-N
XLogP4.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 162651287) is 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2ccc(F)c(C(=O)Nc3cn[nH]c3C(=O)Nc3ccc(F)cc3)c2F)cn1.
What is the InChIKey of 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LUOJOSNFTABOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c1-12-2-3-13(10-27-12)16-8-9-17(25)19(20(16)26)22(32)30-18-11-28-31-21(18)23(33)29-15-6-4-14(24)5-7-15/h2-11H,1H3,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 451.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-difluoro-3-(6-methyl-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162651287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).