3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C23H26FN5O3 — CID 157228897

IUPAC3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(N)c(Nc2ccc(C(=O)CN3C(=O)NC4(CCC(C)(F)CC4)C3=O)cc2)n1
InChIInChI=1S/C23H26FN5O3/c1-14-3-8-17(25)19(26-14)27-16-6-4-15(5-7-16)18(30)13-29-20(31)23(28-21(29)32)11-9-22(2,24)10-12-23/h3-8H,9-13,25H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyATWLLOQZYNGNMR-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.49
Rot. Bonds5

About 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 157228897) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID157228897
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(N)c(Nc2ccc(C(=O)CN3C(=O)NC4(CCC(C)(F)CC4)C3=O)cc2)n1
InChIInChI=1S/C23H26FN5O3/c1-14-3-8-17(25)19(26-14)27-16-6-4-15(5-7-16)18(30)13-29-20(31)23(28-21(29)32)11-9-22(2,24)10-12-23/h3-8H,9-13,25H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyATWLLOQZYNGNMR-UHFFFAOYSA-N
XLogP3.49
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-[(3-amino-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8,8-difluoro-4-methylidene-1,3-diazaspiro[4.5]decan-2-one
CID 155274461
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
CID 7277275
3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710899
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
N-[4-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]benzamide
CID 7630356
N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178363
N-[4-[2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178360
8,8-difluoro-3-[2-oxo-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118366425
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
N-[[3-[4-[2-(8,8-difluoro-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]-2-pyridinyl]methyl]acetamide
CID 118366455
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
8,8-difluoro-3-[2-[4-[3-(hydroxymethyl)-2-pyridinyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118366358

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 157228897) is 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(N)c(Nc2ccc(C(=O)CN3C(=O)NC4(CCC(C)(F)CC4)C3=O)cc2)n1.
What is the InChIKey of 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ATWLLOQZYNGNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-14-3-8-17(25)19(26-14)27-16-6-4-15(5-7-16)18(30)13-29-20(31)23(28-21(29)32)11-9-22(2,24)10-12-23/h3-8H,9-13,25H2,1-2H3,(H,26,27)(H,28,32).
What are the key properties of 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 439.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(3-amino-6-methyl-2-pyridinyl)amino]phenyl]-2-oxoethyl]-8-fluoro-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 157228897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).