4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde

C24H28N6O2 — CID 5330342

IUPAC4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C=O)CC4)cc3)ncc12
InChIInChI=1S/C24H28N6O2/c1-17-14-22(32)30(20-4-2-3-5-20)23-21(17)15-25-24(27-23)26-18-6-8-19(9-7-18)29-12-10-28(16-31)11-13-29/h6-9,14-16,20H,2-5,10-13H2,1H3,(H,25,26,27)
InChIKeyPWFVULRAVFRDIO-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.24
Rot. Bonds5

About 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde

4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde (PubChem CID 5330342) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde
PubChem CID5330342
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde
SMILESCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C=O)CC4)cc3)ncc12
InChIInChI=1S/C24H28N6O2/c1-17-14-22(32)30(20-4-2-3-5-20)23-21(17)15-25-24(27-23)26-18-6-8-19(9-7-18)29-12-10-28(16-31)11-13-29/h6-9,14-16,20H,2-5,10-13H2,1H3,(H,25,26,27)
InChIKeyPWFVULRAVFRDIO-UHFFFAOYSA-N
XLogP3.24
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde (CID 5330342) is 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde is Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C=O)CC4)cc3)ncc12.
What is the InChIKey of 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde?
The InChIKey is PWFVULRAVFRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-14-22(32)30(20-4-2-3-5-20)23-21(17)15-25-24(27-23)26-18-6-8-19(9-7-18)29-12-10-28(16-31)11-13-29/h6-9,14-16,20H,2-5,10-13H2,1H3,(H,25,26,27).
What are the key properties of 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde?
4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde has a molecular weight of 432.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 5330342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).