5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one

C22H24F2N6O — CID 68900378

IUPAC5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one
SMILESCN1CCN(c2ccc(Nc3cc(-c4cc(F)cc(N)c4F)cn(C)c3=O)nc2)CC1
InChIInChI=1S/C22H24F2N6O/c1-28-5-7-30(8-6-28)16-3-4-20(26-12-16)27-19-9-14(13-29(2)22(19)31)17-10-15(23)11-18(25)21(17)24/h3-4,9-13H,5-8,25H2,1-2H3,(H,26,27)
InChIKeyNCVOKOFOQQQDTM-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.80
Rot. Bonds4

About 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one

5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one (PubChem CID 68900378) has the molecular formula C22H24F2N6O and a molecular weight of 426.47 g/mol. Its IUPAC name is 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one
PubChem CID68900378
Molecular FormulaC22H24F2N6O
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC Name5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one
SMILESCN1CCN(c2ccc(Nc3cc(-c4cc(F)cc(N)c4F)cn(C)c3=O)nc2)CC1
InChIInChI=1S/C22H24F2N6O/c1-28-5-7-30(8-6-28)16-3-4-20(26-12-16)27-19-9-14(13-29(2)22(19)31)17-10-15(23)11-18(25)21(17)24/h3-4,9-13H,5-8,25H2,1-2H3,(H,26,27)
InChIKeyNCVOKOFOQQQDTM-UHFFFAOYSA-N
XLogP2.80
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3-amino-2-fluorophenyl)-3-[[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one
CID 68859040
4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 24901369
2-[2-ethyl-5-fluoro-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-[1]benzothiolo[2,3-c]pyridin-1-one
CID 58044013
N-[3-[5-[[5-[4-(2-fluoroethyl)piperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]formamide
CID 143646175
2-[6-fluoro-2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58043896
4-tert-butyl-N-[5-fluoro-2-methyl-3-[1-methyl-5-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 24901370
2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-fluoro-2-(hydroxymethyl)phenyl]pyrazino[1,2-a]indol-1-one
CID 123392510
5-[4-fluoro-3-[2-oxo-2-(3-thia-5-azatricyclo[5.2.2.02,6]undeca-2(6),4-dien-4-yl)ethyl]phenyl]-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one
CID 58266984
10-[2-ethyl-3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-fluorophenyl]-4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-one
CID 58043662
8-tert-butyl-4-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1H-1,4-benzodiazepin-5-one
CID 46945371
8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(1-methylcyclopropyl)isoquinolin-1-one
CID 46908027
[4-fluoro-2-[1-methyl-5-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)phenyl]methyl acetate
CID 54597109

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one?
The IUPAC name of 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one (CID 68900378) is 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one.
What is the SMILES notation for 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one?
The canonical SMILES for 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one is CN1CCN(c2ccc(Nc3cc(-c4cc(F)cc(N)c4F)cn(C)c3=O)nc2)CC1.
What is the InChIKey of 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one?
The InChIKey is NCVOKOFOQQQDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O/c1-28-5-7-30(8-6-28)16-3-4-20(26-12-16)27-19-9-14(13-29(2)22(19)31)17-10-15(23)11-18(25)21(17)24/h3-4,9-13H,5-8,25H2,1-2H3,(H,26,27).
What are the key properties of 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one?
5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one has a molecular weight of 426.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2,5-difluorophenyl)-1-methyl-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridin-2-one is sourced from PubChem (CID 68900378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).