4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one

C17H13ClFN5O — CID 170641385

IUPAC4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one
SMILESO=C1CN(c2ncnc3ccc(Cl)nc23)CCN1c1ccccc1F
InChIInChI=1S/C17H13ClFN5O/c18-14-6-5-12-16(22-14)17(21-10-20-12)23-7-8-24(15(25)9-23)13-4-2-1-3-11(13)19/h1-6,10H,7-9H2
InChIKeyUPJUNWRIZVQGOC-UHFFFAOYSA-N
MW357.78 g/mol
LogP2.67
Rot. Bonds2

About 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one

4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one (PubChem CID 170641385) has the molecular formula C17H13ClFN5O and a molecular weight of 357.78 g/mol. Its IUPAC name is 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one
PubChem CID170641385
Molecular FormulaC17H13ClFN5O
Molecular Weight357.78 g/mol
Exact Mass357.08
IUPAC Name4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one
SMILESO=C1CN(c2ncnc3ccc(Cl)nc23)CCN1c1ccccc1F
InChIInChI=1S/C17H13ClFN5O/c18-14-6-5-12-16(22-14)17(21-10-20-12)23-7-8-24(15(25)9-23)13-4-2-1-3-11(13)19/h1-6,10H,7-9H2
InChIKeyUPJUNWRIZVQGOC-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one (CID 170641385) is 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one is O=C1CN(c2ncnc3ccc(Cl)nc23)CCN1c1ccccc1F.
What is the InChIKey of 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one?
The InChIKey is UPJUNWRIZVQGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O/c18-14-6-5-12-16(22-14)17(21-10-20-12)23-7-8-24(15(25)9-23)13-4-2-1-3-11(13)19/h1-6,10H,7-9H2.
What are the key properties of 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one?
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one has a molecular weight of 357.78 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-1-(2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 170641385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).