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2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide

C23H17ClFN5O3 — CID 175548410

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide
SMILESCOc1cn(C(F)C(=O)Nc2ccc3c(cnn3C)c2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C23H17ClFN5O3/c1-29-19-6-5-16(7-14(19)11-27-29)28-23(32)22(25)30-12-20(33-2)18(9-21(30)31)17-8-15(24)4-3-13(17)10-26/h3-9,11-12,22H,1-2H3,(H,28,32)
InChIKeyOOMZHDJEBOQLJW-UHFFFAOYSA-N
MW465.87 g/mol
LogP4.04
Rot. Bonds5

About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide (PubChem CID 175548410) has the molecular formula C23H17ClFN5O3 and a molecular weight of 465.87 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide
PubChem CID175548410
Molecular FormulaC23H17ClFN5O3
Molecular Weight465.87 g/mol
Exact Mass465.10
IUPAC Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide
SMILESCOc1cn(C(F)C(=O)Nc2ccc3c(cnn3C)c2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C23H17ClFN5O3/c1-29-19-6-5-16(7-14(19)11-27-29)28-23(32)22(25)30-12-20(33-2)18(9-21(30)31)17-8-15(24)4-3-13(17)10-26/h3-9,11-12,22H,1-2H3,(H,28,32)
InChIKeyOOMZHDJEBOQLJW-UHFFFAOYSA-N
XLogP4.04
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide (CID 175548410) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide is COc1cn(C(F)C(=O)Nc2ccc3c(cnn3C)c2)c(=O)cc1-c1cc(Cl)ccc1C#N.
What is the InChIKey of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide?
The InChIKey is OOMZHDJEBOQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O3/c1-29-19-6-5-16(7-14(19)11-27-29)28-23(32)22(25)30-12-20(33-2)18(9-21(30)31)17-8-15(24)4-3-13(17)10-26/h3-9,11-12,22H,1-2H3,(H,28,32).
What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide has a molecular weight of 465.87 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 175548410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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