8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C25H33N7O3 — CID 5330272

IUPAC8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCOCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H33N7O3/c1-34-12-13-35-17-19-14-18-15-28-25(30-23(18)32(24(19)33)20-4-2-3-5-20)29-22-7-6-21(16-27-22)31-10-8-26-9-11-31/h6-7,14-16,20,26H,2-5,8-13,17H2,1H3,(H,27,28,29,30)
InChIKeyUSXVSXDTKIDDDT-UHFFFAOYSA-N
MW479.59 g/mol
LogP2.62
Rot. Bonds9

About 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330272) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330272
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC Name8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCOCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H33N7O3/c1-34-12-13-35-17-19-14-18-15-28-25(30-23(18)32(24(19)33)20-4-2-3-5-20)29-22-7-6-21(16-27-22)31-10-8-26-9-11-31/h6-7,14-16,20,26H,2-5,8-13,17H2,1H3,(H,27,28,29,30)
InChIKeyUSXVSXDTKIDDDT-UHFFFAOYSA-N
XLogP2.62
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330272) is 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is COCCOCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is USXVSXDTKIDDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-34-12-13-35-17-19-14-18-15-28-25(30-23(18)32(24(19)33)20-4-2-3-5-20)29-22-7-6-21(16-27-22)31-10-8-26-9-11-31/h6-7,14-16,20,26H,2-5,8-13,17H2,1H3,(H,27,28,29,30).
What are the key properties of 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 479.59 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(2-methoxyethoxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).