8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C23H31N5O4S — CID 166904038

IUPAC8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)C/C=C4/CCOC4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C23H31N5O4S/c29-21-6-5-18-15-24-23(26-22(18)28(21)20-3-1-2-4-20)25-19-7-11-27(12-8-19)33(30,31)14-10-17-9-13-32-16-17/h5-6,10,15,19-20H,1-4,7-9,11-14,16H2,(H,24,25,26)/b17-10-
InChIKeyVGEHDQBFYRGPGE-YVLHZVERSA-N
MW473.60 g/mol
LogP2.46
Rot. Bonds6

About 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 166904038) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID166904038
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)C/C=C4/CCOC4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C23H31N5O4S/c29-21-6-5-18-15-24-23(26-22(18)28(21)20-3-1-2-4-20)25-19-7-11-27(12-8-19)33(30,31)14-10-17-9-13-32-16-17/h5-6,10,15,19-20H,1-4,7-9,11-14,16H2,(H,24,25,26)/b17-10-
InChIKeyVGEHDQBFYRGPGE-YVLHZVERSA-N
XLogP2.46
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 166904038) is 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NC3CCN(S(=O)(=O)C/C=C4/CCOC4)CC3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VGEHDQBFYRGPGE-YVLHZVERSA-N. The full InChI is InChI=1S/C23H31N5O4S/c29-21-6-5-18-15-24-23(26-22(18)28(21)20-3-1-2-4-20)25-19-7-11-27(12-8-19)33(30,31)14-10-17-9-13-32-16-17/h5-6,10,15,19-20H,1-4,7-9,11-14,16H2,(H,24,25,26)/b17-10-.
What are the key properties of 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 473.60 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166904038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).