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

C22H25N5O5 — CID 71571355

IUPAC2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(=O)O)CC3)c2=O)cn1
InChIInChI=1S/C22H25N5O5/c1-12-16-9-17(13-3-8-18(31-2)24-10-13)21(30)27(20(16)26-22(23)25-12)14-4-6-15(7-5-14)32-11-19(28)29/h3,8-10,14-15H,4-7,11H2,1-2H3,(H,28,29)(H2,23,25,26)
InChIKeyFYGAMXOBXPHZMN-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.34
Rot. Bonds6

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

2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid (PubChem CID 71571355) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid
PubChem CID71571355
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(=O)O)CC3)c2=O)cn1
InChIInChI=1S/C22H25N5O5/c1-12-16-9-17(13-3-8-18(31-2)24-10-13)21(30)27(20(16)26-22(23)25-12)14-4-6-15(7-5-14)32-11-19(28)29/h3,8-10,14-15H,4-7,11H2,1-2H3,(H,28,29)(H2,23,25,26)
InChIKeyFYGAMXOBXPHZMN-UHFFFAOYSA-N
XLogP2.34
TPSA142.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.34
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-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid?
The IUPAC name of 2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid (CID 71571355) is 2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid.
What is the SMILES notation for 2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid?
The canonical SMILES for 2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid is COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(=O)O)CC3)c2=O)cn1.
What is the InChIKey of 2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid?
The InChIKey is FYGAMXOBXPHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-12-16-9-17(13-3-8-18(31-2)24-10-13)21(30)27(20(16)26-22(23)25-12)14-4-6-15(7-5-14)32-11-19(28)29/h3,8-10,14-15H,4-7,11H2,1-2H3,(H,28,29)(H2,23,25,26).
What are the key properties of 2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid?
2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid has a molecular weight of 439.47 g/mol, XLogP of 2.34, 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-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid is sourced from PubChem (CID 71571355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).