5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one

C24H29FN6O2 — CID 68859040

IUPAC5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one
SMILESCOCCN1CCN(c2ccc(Nc3cc(-c4cccc(N)c4F)cn(C)c3=O)nc2)CC1
InChIInChI=1S/C24H29FN6O2/c1-29-16-17(19-4-3-5-20(26)23(19)25)14-21(24(29)32)28-22-7-6-18(15-27-22)31-10-8-30(9-11-31)12-13-33-2/h3-7,14-16H,8-13,26H2,1-2H3,(H,27,28)
InChIKeyDYUWGYMXYUTXJR-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.68
Rot. Bonds7

About 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one

5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one (PubChem CID 68859040) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one
PubChem CID68859040
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one
SMILESCOCCN1CCN(c2ccc(Nc3cc(-c4cccc(N)c4F)cn(C)c3=O)nc2)CC1
InChIInChI=1S/C24H29FN6O2/c1-29-16-17(19-4-3-5-20(26)23(19)25)14-21(24(29)32)28-22-7-6-18(15-27-22)31-10-8-30(9-11-31)12-13-33-2/h3-7,14-16H,8-13,26H2,1-2H3,(H,27,28)
InChIKeyDYUWGYMXYUTXJR-UHFFFAOYSA-N
XLogP2.68
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one (CID 68859040) is 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one is COCCN1CCN(c2ccc(Nc3cc(-c4cccc(N)c4F)cn(C)c3=O)nc2)CC1.
What is the InChIKey of 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one?
The InChIKey is DYUWGYMXYUTXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-29-16-17(19-4-3-5-20(26)23(19)25)14-21(24(29)32)28-22-7-6-18(15-27-22)31-10-8-30(9-11-31)12-13-33-2/h3-7,14-16H,8-13,26H2,1-2H3,(H,27,28).
What are the key properties of 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one?
5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one has a molecular weight of 452.53 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 68859040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).