2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide

C22H25FN6O4 — CID 67238402

IUPAC2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
SMILESCOc1ncc(F)cc1-c1cc2c(C)nc(N)nc2n(C2CCC(OCC(N)=O)CC2)c1=O
InChIInChI=1S/C22H25FN6O4/c1-11-15-8-17(16-7-12(23)9-26-20(16)32-2)21(31)29(19(15)28-22(25)27-11)13-3-5-14(6-4-13)33-10-18(24)30/h7-9,13-14H,3-6,10H2,1-2H3,(H2,24,30)(H2,25,27,28)
InChIKeyKNUIUVKTWZOLQJ-UHFFFAOYSA-N
MW456.48 g/mol
LogP1.88
Rot. Bonds6

About 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide

2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide (PubChem CID 67238402) has the molecular formula C22H25FN6O4 and a molecular weight of 456.48 g/mol. Its IUPAC name is 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide.

Molecular Properties

Compound Name2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
PubChem CID67238402
Molecular FormulaC22H25FN6O4
Molecular Weight456.48 g/mol
Exact Mass456.19
IUPAC Name2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
SMILESCOc1ncc(F)cc1-c1cc2c(C)nc(N)nc2n(C2CCC(OCC(N)=O)CC2)c1=O
InChIInChI=1S/C22H25FN6O4/c1-11-15-8-17(16-7-12(23)9-26-20(16)32-2)21(31)29(19(15)28-22(25)27-11)13-3-5-14(6-4-13)33-10-18(24)30/h7-9,13-14H,3-6,10H2,1-2H3,(H2,24,30)(H2,25,27,28)
InChIKeyKNUIUVKTWZOLQJ-UHFFFAOYSA-N
XLogP1.88
TPSA148.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032388
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide
CID 72946778
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide
CID 72947197
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 72946987
CID 88936750
CID 88936750
2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71131657
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258910
2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 45257087
2-amino-6-[1-(ethoxymethyl)imidazol-2-yl]-4-methyl-8-[(3S)-oxan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 25050348
2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane
CID 160906327

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
The IUPAC name of 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide (CID 67238402) is 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide.
What is the SMILES notation for 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
The canonical SMILES for 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide is COc1ncc(F)cc1-c1cc2c(C)nc(N)nc2n(C2CCC(OCC(N)=O)CC2)c1=O.
What is the InChIKey of 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
The InChIKey is KNUIUVKTWZOLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O4/c1-11-15-8-17(16-7-12(23)9-26-20(16)32-2)21(31)29(19(15)28-22(25)27-11)13-3-5-14(6-4-13)33-10-18(24)30/h7-9,13-14H,3-6,10H2,1-2H3,(H2,24,30)(H2,25,27,28).
What are the key properties of 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide has a molecular weight of 456.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide is sourced from PubChem (CID 67238402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).