8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C22H26N6O — CID 5330333

IUPAC8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(H,24,25,26)
InChIKeyXVSUOCNNMBYUKO-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.06
Rot. Bonds4

About 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330333) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330333
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(H,24,25,26)
InChIKeyXVSUOCNNMBYUKO-UHFFFAOYSA-N
XLogP3.06
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330333) is 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XVSUOCNNMBYUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(H,24,25,26).
What are the key properties of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 390.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).