6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one

C23H20Cl2N6O — CID 86296814

IUPAC6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2ccn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H20Cl2N6O/c24-18-2-1-3-19(25)21(18)31-11-8-20-17(22(31)32)14-27-23(29-20)28-15-4-6-16(7-5-15)30-12-9-26-10-13-30/h1-8,11,14,26H,9-10,12-13H2,(H,27,28,29)
InChIKeyTZPVRUSDDZQICJ-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.24
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one

6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 86296814) has the molecular formula C23H20Cl2N6O and a molecular weight of 467.36 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one
PubChem CID86296814
Molecular FormulaC23H20Cl2N6O
Molecular Weight467.36 g/mol
Exact Mass466.11
IUPAC Name6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2ccn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H20Cl2N6O/c24-18-2-1-3-19(25)21(18)31-11-8-20-17(22(31)32)14-27-23(29-20)28-15-4-6-16(7-5-15)30-12-9-26-10-13-30/h1-8,11,14,26H,9-10,12-13H2,(H,27,28,29)
InChIKeyTZPVRUSDDZQICJ-UHFFFAOYSA-N
XLogP4.24
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.24
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 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one (CID 86296814) is 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one is O=c1c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2ccn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is TZPVRUSDDZQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O/c24-18-2-1-3-19(25)21(18)31-11-8-20-17(22(31)32)14-27-23(29-20)28-15-4-6-16(7-5-15)30-12-9-26-10-13-30/h1-8,11,14,26H,9-10,12-13H2,(H,27,28,29).
What are the key properties of 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one?
6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 467.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-(4-piperazin-1-ylanilino)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 86296814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).