8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

C24H30N6O2 — CID 22329929

IUPAC8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(Nc3ccc(N4CCC(O)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H30N6O2/c1-2-16-13-17-14-26-24(28-22(17)30(23(16)32)18-5-3-4-6-18)27-21-8-7-19(15-25-21)29-11-9-20(31)10-12-29/h7-8,13-15,18,20,31H,2-6,9-12H2,1H3,(H,25,26,27,28)
InChIKeyYDCBBXNPMFCEGD-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.57
Rot. Bonds5

About 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 22329929) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID22329929
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(Nc3ccc(N4CCC(O)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H30N6O2/c1-2-16-13-17-14-26-24(28-22(17)30(23(16)32)18-5-3-4-6-18)27-21-8-7-19(15-25-21)29-11-9-20(31)10-12-29/h7-8,13-15,18,20,31H,2-6,9-12H2,1H3,(H,25,26,27,28)
InChIKeyYDCBBXNPMFCEGD-UHFFFAOYSA-N
XLogP3.57
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 22329929) is 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is CCc1cc2cnc(Nc3ccc(N4CCC(O)CC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YDCBBXNPMFCEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-2-16-13-17-14-26-24(28-22(17)30(23(16)32)18-5-3-4-6-18)27-21-8-7-19(15-25-21)29-11-9-20(31)10-12-29/h7-8,13-15,18,20,31H,2-6,9-12H2,1H3,(H,25,26,27,28).
What are the key properties of 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 434.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-ethyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22329929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).