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

C23H16F3N5O3 — CID 162673767

IUPAC4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(F)c(C(=O)Nc3cn[nH]c3C(=O)Nc3ccc(F)cc3)c2F)cn1
InChIInChI=1S/C23H16F3N5O3/c1-34-18-9-2-12(10-27-18)15-7-8-16(25)19(20(15)26)22(32)30-17-11-28-31-21(17)23(33)29-14-5-3-13(24)4-6-14/h2-11H,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyOSAZCVNAQYUWII-UHFFFAOYSA-N
MW467.41 g/mol
LogP4.40
Rot. Bonds6

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

4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 162673767) has the molecular formula C23H16F3N5O3 and a molecular weight of 467.41 g/mol. Its IUPAC name is 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID162673767
Molecular FormulaC23H16F3N5O3
Molecular Weight467.41 g/mol
Exact Mass467.12
IUPAC Name4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(F)c(C(=O)Nc3cn[nH]c3C(=O)Nc3ccc(F)cc3)c2F)cn1
InChIInChI=1S/C23H16F3N5O3/c1-34-18-9-2-12(10-27-18)15-7-8-16(25)19(20(15)26)22(32)30-17-11-28-31-21(17)23(33)29-14-5-3-13(24)4-6-14/h2-11H,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyOSAZCVNAQYUWII-UHFFFAOYSA-N
XLogP4.40
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 162673767) is 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-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-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OSAZCVNAQYUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O3/c1-34-18-9-2-12(10-27-18)15-7-8-16(25)19(20(15)26)22(32)30-17-11-28-31-21(17)23(33)29-14-5-3-13(24)4-6-14/h2-11H,1H3,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 467.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-difluoro-3-(6-methoxy-3-pyridinyl)benzoyl]amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162673767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).