N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide

C26H22ClFN4O2 — CID 158898580

IUPACN-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide
SMILESCc1cc(CC(=O)c2cc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)ccc2F)cc(C)n1
InChIInChI=1S/C26H22ClFN4O2/c1-16-9-18(10-17(2)30-16)11-25(33)21-13-20(7-8-23(21)28)32-15-19(14-29-32)12-26(34)31-24-6-4-3-5-22(24)27/h3-10,13-15H,11-12H2,1-2H3,(H,31,34)
InChIKeyJFDHUBOTUOPIPH-UHFFFAOYSA-N
MW476.94 g/mol
LogP5.28
Rot. Bonds7

About N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide

N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide (PubChem CID 158898580) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide
PubChem CID158898580
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC NameN-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide
SMILESCc1cc(CC(=O)c2cc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)ccc2F)cc(C)n1
InChIInChI=1S/C26H22ClFN4O2/c1-16-9-18(10-17(2)30-16)11-25(33)21-13-20(7-8-23(21)28)32-15-19(14-29-32)12-26(34)31-24-6-4-3-5-22(24)27/h3-10,13-15H,11-12H2,1-2H3,(H,31,34)
InChIKeyJFDHUBOTUOPIPH-UHFFFAOYSA-N
XLogP5.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide (CID 158898580) is N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide is Cc1cc(CC(=O)c2cc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)ccc2F)cc(C)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide?
The InChIKey is JFDHUBOTUOPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c1-16-9-18(10-17(2)30-16)11-25(33)21-13-20(7-8-23(21)28)32-15-19(14-29-32)12-26(34)31-24-6-4-3-5-22(24)27/h3-10,13-15H,11-12H2,1-2H3,(H,31,34).
What are the key properties of N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide?
N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide has a molecular weight of 476.94 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-[3-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-4-fluorophenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 158898580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).