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

C23H17ClFN5O3 — CID 175548410

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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Related Compounds

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide
CID 175548814
(2S)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[4-(5-oxo-4H-1,2,4-thiadiazol-3-yl)phenyl]butanamide
CID 137001959
N-(3H-benzimidazol-5-yl)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-methylbutanamide
CID 151965861
4-[[(2S)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-propan-2-yloxybutanoyl]amino]benzoic acid
CID 122550214
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methyl-1,3-oxazol-4-yl)propanoyl]amino]-2-fluoro-N-methylbenzamide
CID 118978471
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]-2-fluorobenzamide
CID 118978479
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-cyclobutylpropanoyl]amino]benzoic acid
CID 86297950
3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
CID 152708450
4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
CID 135270547
4-[[2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-fluoroacetyl]amino]-2-fluorobenzoic acid
CID 175548688
(2S)-3-[4-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]benzoyl]oxy-2-methylpropanoic acid;propane
CID 145050270
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
CID 118981658

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).