8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one

C20H29N5O2 — CID 171337934

IUPAC8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCCN1CCN(c2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C20H29N5O2/c1-15-13-18(26)25(16-5-3-4-6-16)19-17(15)14-21-20(22-19)24-9-7-23(8-10-24)11-12-27-2/h13-14,16H,3-12H2,1-2H3
InChIKeyIJGGGSIFIUEPHA-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.98
Rot. Bonds5

About 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 171337934) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID171337934
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCCN1CCN(c2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C20H29N5O2/c1-15-13-18(26)25(16-5-3-4-6-16)19-17(15)14-21-20(22-19)24-9-7-23(8-10-24)11-12-27-2/h13-14,16H,3-12H2,1-2H3
InChIKeyIJGGGSIFIUEPHA-UHFFFAOYSA-N
XLogP1.98
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 171337934) is 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one is COCCN1CCN(c2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IJGGGSIFIUEPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-13-18(26)25(16-5-3-4-6-16)19-17(15)14-21-20(22-19)24-9-7-23(8-10-24)11-12-27-2/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 371.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171337934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).