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

C22H25FN6O4 — CID 25032306

IUPAC2-[4-[2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cc1F
InChIInChI=1S/C22H25FN6O4/c1-11-15-8-16(12-7-17(23)20(32-2)26-9-12)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)
InChIKeyOKZQPXUPXMKTBL-UHFFFAOYSA-N
MW456.48 g/mol
LogP1.88
Rot. Bonds6

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

2-[4-[2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide (PubChem CID 25032306) 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-6-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-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
PubChem CID25032306
Molecular FormulaC22H25FN6O4
Molecular Weight456.48 g/mol
Exact Mass456.19
IUPAC Name2-[4-[2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cc1F
InChIInChI=1S/C22H25FN6O4/c1-11-15-8-16(12-7-17(23)20(32-2)26-9-12)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)
InChIKeyOKZQPXUPXMKTBL-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-6-(5-fluoro-6-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-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide (CID 25032306) is 2-[4-[2-amino-6-(5-fluoro-6-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-6-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-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide is COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cc1F.
What is the InChIKey of 2-[4-[2-amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
The InChIKey is OKZQPXUPXMKTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O4/c1-11-15-8-16(12-7-17(23)20(32-2)26-9-12)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-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide?
2-[4-[2-amino-6-(5-fluoro-6-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-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide is sourced from PubChem (CID 25032306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).